7-(Chloromethyl)-10-fluoro-12-methyl-1,2,3,4-tetrahydrotetraphene
Basic information
- CAS
104761-71-9- Standard SMILES
Cc1c2cc(F)ccc2c(CCl)c2ccc3c(c12)CCCC3- InChIKey
JSHOMPMTCSHDHP-UHFFFAOYSA-N- Molecular formula
- C20H18ClF
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.1081064
Names & identifiers
- Preferred name
- 7-(Chloromethyl)-10-fluoro-12-methyl-1,2,3,4-tetrahydrotetraphene
- IUPAC
- 7-(chloromethyl)-10-fluoro-12-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene
Names & synonyms
104761-71-97-(chloromethyl)-10-fluoro-12-methyl-1,2,3,4-tetrahydrotetrapheneDTXSID50909190Benz(a)anthracene, 7-(chloromethyl)-10-fluoro-1,2,3,4-tetrahydro-12-methyl-
Database identifiers
- CAS
104761-71-9- PubChem CID
- 184397
- DTXSID
DTXSID50909190
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
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Compound notes
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