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 8 results

Search term: CFBVGSWSOJBYGC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117907

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2
C12H14ClNO2239.6981272800
57617864

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12-/m1/s1
C12H14ClNO2239.698111900
57617863

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12-/m0/s1
C12H14ClNO2239.69818500
23168650

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12?/m1/s1
C12H14ClNO2239.69812200
107446772

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12+/m1/s1
C12H14ClNO2239.69811100
107449507

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12+/m1/s1/i3D2,6D2,7D2
C12H8D6ClNO2245.7351100
107449510

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12+/m1/s1/i1+1,2+1,4+1,5+1,8+1,9+1
C613C6H14ClNO2245.6541100
115295150

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10?,12-/m0/s1
C12H14ClNO2239.69811100

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