Chem
J-GLOBAL ID：200907048498531434
Nikkaji number：J2.714.529I
(3S)-2,3β-Diphenyl-4β-nitro-5α-(difluorochloromethyl)isoxazolidine
(3S)-2,3β-ジフェニル-4β-ニトロ-5α-(ジフルオロクロロメチル)イソオキサゾリジン
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： C16H13ClF2N[N+]O2[O-]
Molecular formula furigana： C16-H13-CL-F2-N2-O3
Molecular weight： 354.740
InChI：
InChI=1S/C16H13ClF2N2O3/c17-16(18,19)15-14(21(22)23)13(11-7-3-1-4-8-11)20(24-15)12-9-5-2-6-10-12/h1-10,13-15H/t13-,14+,15+/m0/s1
InChI key：
AFABDXNQSVBUDQ-RRFJBIMHSA-N
SMILES：
[O-][N+](=O)[C@H]1[C@@H](ON([C@H]1c1ccccc1)c1ccccc1)C(F)(F)Cl
Systematic name (3)：
- (3S)-2,3β-ジフェニル-4β-ニトロ-5α-(ジフルオロクロロメチル)イソオキサゾリジン
- (3S,4R,5R)-5-(クロロジフルオロメチル)-4-ニトロ-2,3-ジフェニル-1,2-オキサゾリジン
- (3S,4R,5R)-5-(chlorodifluoromethyl)-4-nitro-2,3-diphenyl-1,2-oxazolidine
- (3S)-2,3β-Diphenyl-4β-nitro-5α-(difluorochloromethyl)isoxazolidine
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