Matches any text strings used to describe a molecule.
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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 15 results

Search term: XPOQHMRABVBWPR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57715


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
C14H9ClF3NO2315.675131222201519
3091

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)
C14H9ClF3NO2315.67554112800
418787

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m1/s1
C14H9ClF3NO2315.675322500
68003907

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/i1D2,2D2,8D
C14H4D5ClF3NO2320.705811900
48062743

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1/i1D2,2D2,8D
C14H4D5ClF3NO2320.70588900
23936031

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/i1D2,2D2
C14H5D4ClF3NO2319.69966600
94269854

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/i3+1,4+1,7+1,9+1,10+1,11+1
C813C6H9ClF3NO2321.63096400
48062706

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1/i1D2,2D2
C14H5D4ClF3NO2319.69964300
48244843

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1/i3+1,4+1,7+1,9+1,10+1,11+1
C813C6H9ClF3NO2321.63093200
76920342

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m1/s1/i1D2,2D2,8D
C14H4D5ClF3NO2320.70581100
95636689

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1/i/hD
C14H8DClF3NO2316.68111100
107435163

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/i4D
C14H8DClF3NO2316.68111300
111309841

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1/i1D2,2D2,3+1,4+1,7+1,9+1,10+1,11+1
C813C6H5D4ClF3NO2325.65551100
114394260

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1/i12+2
C1314CH9ClF3NO2317.66751100

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