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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
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Found 436 results

Search term: C21H23ClFN3O (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3276

InChI=1/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
C21H23ClFN3O387.87827378388240
21475124

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22FN3O.ClH/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13;/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26);1H/t16-;/m1./s1
C21H23ClFN3O387.8782473200
13998216
InChI=1/C21H22FN3O.ClH/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15;/h2-7,12-14,23H,8-11H2,1H3,(H,24,26);1H
C21H23ClFN3O387.8782362800
2912589
InChI=1/C21H23ClFN3O/c1-2-7-21(27)24-13-6-12-20-25-18-10-3-4-11-19(18)26(20)14-15-16(22)8-5-9-17(15)23/h3-5,8-11H,2,6-7,12-14H2,1H3,(H,24,27)
C21H23ClFN3O387.8782232211200
3940745
InChI=1/C21H23ClFN3O/c1-21(2,3)20(27)24-12-11-19-25-17-9-4-5-10-18(17)26(19)13-14-15(22)7-6-8-16(14)23/h4-10H,11-13H2,1-3H3,(H,24,27)
C21H23ClFN3O387.8782191200
4072122
InChI=1/C21H23ClFN3O/c1-15(27)24-13-6-2-3-12-21-25-19-10-4-5-11-20(19)26(21)14-16-17(22)8-7-9-18(16)23/h4-5,7-11H,2-3,6,12-14H2,1H3,(H,24,27)
C21H23ClFN3O387.8782232191200
4969965

Double-bond stereo
InChI=1/C21H23ClFN3O/c22-19-15-18(8-9-20(19)23)24-21(27)16-26-13-11-25(12-14-26)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,24,27)/b7-4+
C21H23ClFN3O387.8782191800
28294659

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22FN3O.ClH/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13;/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26);1H
C21H23ClFN3O387.8782191800
5738934

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H23ClFN3O/c22-19-18(24-11-13-1-3-17(23)4-2-13)12-25-26(20(19)27)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,12,14-16,24H,5-11H2
C21H23ClFN3O387.8782151000
3342744

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H23ClFN3O/c22-17-2-1-3-18(23)16(17)12-26-5-4-19(25-26)24-20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25,27)
C21H23ClFN3O387.878223214800
21797523
InChI=1/C21H23ClFN3O/c22-20-13-18(23)6-4-17(20)14-25-8-10-26(11-9-25)21(27)24-19-7-5-15-2-1-3-16(15)12-19/h4-7,12-13H,1-3,8-11,14H2,(H,24,27)
C21H23ClFN3O387.8782141400
22146482
InChI=1/C21H23ClFN3O/c1-15(2)25(11-12-27)13-16-14-26(18-9-7-17(23)8-10-18)24-21(16)19-5-3-4-6-20(19)22/h3-10,14-15,27H,11-13H2,1-2H3
C21H23ClFN3O387.878210900
6841571

Double-bond stereo
InChI=1/C21H23ClFN3O/c22-18-8-9-19(23)20(15-18)24-21(27)16-26-13-11-25(12-14-26)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,24,27)/b7-4+
C21H23ClFN3O387.8782101000
5738768

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H23ClFN3O/c1-12-2-3-16(7-17(12)23)25-18-11-24-26(20(27)19(18)22)21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,11,13-15,25H,4-6,8-10H2,1H3
C21H23ClFN3O387.878210700
22209521

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23ClFN3O/c22-16-4-1-3-15(9-16)11-21(14-27)7-2-8-26(13-21)12-20-24-18-6-5-17(23)10-19(18)25-20/h1,3-6,9-10,27H,2,7-8,11-14H2,(H,24,25)
C21H23ClFN3O387.87829700
17016366
InChI=1/C21H23ClFN3O/c1-15-10-16(2)12-17(11-15)26(9-5-8-24)21(27)14-25(3)13-18-19(22)6-4-7-20(18)23/h4,6-7,10-12H,5,9,13-14H2,1-3H3
C21H23ClFN3O387.87829700
23069856

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23ClFN3O/c22-19-12-16(6-9-24-19)20(27)26-11-8-21(15-26)7-3-10-25(14-21)13-17-4-1-2-5-18(17)23/h1-2,4-6,9,12H,3,7-8,10-11,13-15H2
C21H23ClFN3O387.87829800
29468892

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H23ClFN3O/c22-20-9-18(23)5-4-17(20)8-21(27)26-13-16-3-6-19(26)14-25(12-16)11-15-2-1-7-24-10-15/h1-2,4-5,7,9-10,16,19H,3,6,8,11-14H2/t16-,19+/m0/s1
C21H23ClFN3O387.87828700
29736318
InChI=1/C21H23ClFN3O/c1-3-25(12-13-27-2)14-16-15-26(18-10-8-17(23)9-11-18)24-21(16)19-6-4-5-7-20(19)22/h4-11,15H,3,12-14H2,1-2H3
C21H23ClFN3O387.87828700
22246140

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H23ClFN3O/c22-19-12-17(6-9-24-19)20(27)26-11-8-21(15-26)7-1-10-25(14-21)13-16-2-4-18(23)5-3-16/h2-6,9,12H,1,7-8,10-11,13-15H2
C21H23ClFN3O387.87828700
12345

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