Basic information
- CAS
20377-68-8- Standard SMILES
CC12CCC3c4ccccc4CCC3C1CC(Cl)C2=O- InChIKey
CQCDLLULWREDCF-UHFFFAOYSA-N- Molecular formula
- C18H21ClO
- Average molar mass
- 288.8 g/mol
- Monoisotopic mass
- 288.128093
Names & identifiers
- Preferred name
- 16-chloro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- IUPAC
- 16-chloro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
20377-68-8DTXSID8094253516-Chloroestra-1(10),2,4-trien-17-one16alpha-Chloroestra-1,3,5(10)-trien-17-one
Database identifiers
- CAS
20377-68-8- PubChem CID
- 30129
- DTXSID
DTXSID80942535
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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