Chem
J-GLOBAL ID：200907041492260990
Nikkaji number：J2.453.841I
3α-(2,4,6-Trimethylphenyl)-2,1-benzooxaborole-1(3H)-ol
3α-(2,4,6-トリメチルフェニル)-2,1-ベンゾオキサボロール-1(3H)-オール
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： C16H17BO2
Molecular formula furigana： C16-H17-B-O2
Molecular weight： 252.120
InChI：
InChI=1S/C16H17BO2/c1-10-8-11(2)15(12(3)9-10)16-13-6-4-5-7-14(13)17(18)19-16/h4-9,16,18H,1-3H3/t16-/m0/s1
InChI key：
UBRCUUZUYJKIPS-INIZCTEOSA-N
SMILES：
Cc1cc(C)c([C@H]2OB(O)c3ccccc23)c(C)c1
Systematic name (3)：
- 3α-(2,4,6-トリメチルフェニル)-2,1-ベンゾオキサボロール-1(3H)-オール
- (3S)-3-(2,4,6-トリメチルフェニル)-1,3-ジヒドロ-2,1-ベンゾオキサボロール-1-オール
- (3S)-3-(2,4,6-trimethylphenyl)-1,3-dihydro-2,1-benzoxaborol-1-ol
- 3α-(2,4,6-Trimethylphenyl)-2,1-benzooxaborole-1(3H)-ol
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