Basic information
- CAS
98874-91-0- Standard SMILES
C[C@]1(Cl)C(=O)[C@H]2C(=C(c3ccccc3)c3ccccc3)C=C[C@H]21- InChIKey
MBHLEWYYYRMVJR-SLYNCCJLSA-N- Molecular formula
- C21H17ClO
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.0967929
Names & identifiers
- Preferred name
- Bicyclo(3.2.0)hept-2-en-6-one, 7-chloro-4-(diphenylmethylene)-7-methyl-, (1alpha,5alpha,7alpha)-
- IUPAC
- (1R,5R,7R)-4-benzhydrylidene-7-chloro-7-methylbicyclo[3.2.0]hept-2-en-6-one
Names & synonyms
98874-91-0Bicyclo(3.2.0)hept-2-en-6-one, 7-chloro-4-(diphenylmethylene)-7-methyl-, (1alpha,5alpha,7alpha)-DTXSID809130287-Chloro-4-(diphenylmethylidene)-7-methylbicyclo[3.2.0]hept-2-en-6-one(1R,5R,7R)-7-chloro-4-(diphenylmethylidene)-7-methylbicyclo[3.2.0]hept-2-en-6-one
Database identifiers
- CAS
98874-91-0- PubChem CID
- 179130
- DTXSID
DTXSID80913028
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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