Chem
J-GLOBAL ID：201207091295042495
Nikkaji number：J3.066.493K
4-(Difluoromethyl)benzoic acid
4-(ジフルオロメチル)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： C8H6F2O2
Molecular formula furigana： C8-H6-F2-O2
Molecular weight： 172.131
InChI：
InChI=1S/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12)
InChI key：
AVYXJQFZBUXNHB-UHFFFAOYSA-N
SMILES：
OC(=O)c1ccc(cc1)C(F)F
Systematic name (2)：
- 4-(ジフルオロメチル)安息香酸
- 4-(difluoromethyl)benzoic acid
- 4-(Difluoromethyl)benzoic acid
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