Basic information
- CAS
84491-11-2- Standard SMILES
C=C[C@@H]1O[C@H]1c1ccc(Cl)cc1- InChIKey
NJXJXFDVHPWEFA-UWVGGRQHSA-N- Molecular formula
- C10H9ClO
- Average molar mass
- 180.63 g/mol
- Monoisotopic mass
- 180.0341926
Names & identifiers
- Preferred name
- Oxirane, 2-(4-chlorophenyl)-3-ethenyl-, trans-
- IUPAC
- (2S,3S)-2-(4-chlorophenyl)-3-ethenyloxirane
Names & synonyms
(2S,3S)-2-(4-chlorophenyl)-3-ethenyloxiraneOxirane, 2-(4-chlorophenyl)-3-ethenyl-, trans-DTXSID6044238184491-11-2
Database identifiers
- CAS
84491-11-2- PubChem CID
- 10607485
- DTXSID
DTXSID60442381- Nikkaji
- J945.482I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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