Chem
J-GLOBAL ID：201207015527483266
Nikkaji number：J3.113.609A
4-(1H-1,2,4-Triazole-1-yl)benzoic acid
4-(1H-1,2,4-トリアゾール-1-イル)安息香酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C9H7N3O2
Molecular formula furigana： C9-H7-N3-O2
Molecular weight： 189.174
InChI：
InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)
InChI key：
FOMQQGKCPYKKHQ-UHFFFAOYSA-N
SMILES：
OC(=O)c1ccc(cc1)n1cncn1
Systematic name (2)：
- 4-(1H-1,2,4-トリアゾール-1-イル)安息香酸
- 4-(1H-1,2,4-triazol-1-yl)benzoic acid
- 4-(1H-1,2,4-Triazole-1-yl)benzoic acid
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