Basic information
- CAS
4887-98-3- Standard SMILES
O=C1c2ccccc2Cc2c(Cl)cccc21- InChIKey
JJBJHVLCIBBELY-UHFFFAOYSA-N- Molecular formula
- C14H9ClO
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.0341926
Names & identifiers
- Preferred name
- 9(10H)-Anthracenone, 4-chloro-
- IUPAC
- 4-chloro-10H-anthracen-9-one
Names & synonyms
4-chloro-10H-anthracen-9-one9(10H)-Anthracenone, 4-chloro-1-Chloroanthracen-9(10H)-one4-ChloranthronEINECS 225-505-5SCHEMBL9270180JJBJHVLCIBBELY-UHFFFAOYSA-N4-Chloro-9(10H)-anthracenone #NSC 16067
Database identifiers
- CAS
4887-98-3- PubChem CID
- 78600
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…