Chem
J-GLOBAL ID：200907041151177601
Nikkaji number：J96.151E
Methyl 3-iodobenzoate
3-ヨード安息香酸メチル
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： C8H7IO2
Molecular formula furigana： C8-H7-I-O2
Molecular weight： 262.046
InChI：
InChI=1S/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI key：
NPXOIGSBRLCOSD-UHFFFAOYSA-N
SMILES：
COC(=O)c1cccc(I)c1
Systematic name (4)：
- 3-ヨード安息香酸メチル
- m-ヨード安息香酸メチル
- メチル 3-ヨードベンゾアート
- methyl 3-iodobenzoate
- 3-Iodobenzoic acid methyl ester
- m-Iodobenzoic acid methyl ester
- Methyl 3-iodobenzoate
Regulation number (2)：
- EINECS2105704
- TSCA(618-91-7)
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