BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL-

Substructure search Find similar structures

Basic information

CAS: 67639-45-6
Standard SMILES: Cc1c2ccccc2c(CCl)c2cc(F)c3ccccc3c12
InChIKey: XDWPSGQUCMCJCO-UHFFFAOYSA-N
Molecular formula: C20H14ClF
Average molar mass: 308.8 g/mol
Monoisotopic mass: 308.0768063

Names & identifiers

Preferred name: BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL-
IUPAC: 7-(chloromethyl)-5-fluoro-12-methylbenzo[a]anthracene

Names & synonyms

BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL-67639-45-6BRN 25381355-Fluoro-7-chloromethyl-12-methylbenz(a)anthracene7-(Chloromethyl)-5-fluoro-12-methylbenz(a)anthraceneDTXSID002179547-(chloromethyl)-5-fluoro-12-methyltetraphene

Database identifiers

CAS: 67639-45-6
PubChem CID: 49958
DTXSID: DTXSID00217954

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 397

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…