Basic information
- CAS
28291-10-3- Standard SMILES
Clc1ccc([C@@H]2O[C@H]2c2ccccc2)cc1- InChIKey
AWZJRRBGXZWVOY-KBPBESRZSA-N- Molecular formula
- C14H11ClO
- Average molar mass
- 230.69 g/mol
- Monoisotopic mass
- 230.0498427
Names & identifiers
- Preferred name
- Oxirane, 2-(4-chlorophenyl)-3-phenyl-, trans-
- IUPAC
- (2S,3S)-2-(4-chlorophenyl)-3-phenyloxirane
- English name
- DL-trans-4-Chlorostilbeneoxide
- Molecular formula
- C14H11ClO
- Molecular weight
- 230.69
Names & synonyms
28291-10-3dl-trans-4-Chlorostilbene oxideAWZJRRBGXZWVOY-KBPBESRZSA-N2-(4-Chlorophenyl)-3-phenyloxirane #trans-2-phenyl-3-(4-chlorophenyl)oxirane2-(4-Chlorophenyl)-3-phenyloxirane trans-Oxirane, 2-(4-chlorophenyl)-3-phenyl-, trans-DL-trans-4-Chlorostilbeneoxide(+/-)-trans-4-chlorostilbene oxiderac-2β*-(4-Chlorophenyl)-3α*-phenyloxiraneOxirane, 2-(4-chlorophenyl)-3-phenyl-, (2R,3R)-rel-
Database identifiers
- CAS
28291-10-3- PubChem CID
- 93122
- Nikkaji
- J232.136J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 100.4 · 100.4-101.5 °C
- Boiling point
- 333.4 · 333.4±30.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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