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 6 results

Search term: ZXKXJHAOUFHNAS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82580

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H
C12H17ClF3N267.71828965734416444
59645

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/t9-;/m0./s1
C12H17ClF3N267.718349130133938
16736776

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/t9-;/m1./s1
C12H17ClF3N267.71833554680
48061650

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/i1D3,3D2;
C12H12D5ClF3N272.74914600
107433677

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/i1D3,2D3,3D2,7D2,9D;
C12H6D11ClF3N278.78612300
23621270

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/p-1
C12H16ClF3N266.71091100

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