5-(4-Fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
Basic information
- CAS
1214389-47-5- Standard SMILES
O=C(Cl)c1cc(-c2ccc(F)cc2)ccc1C(F)(F)F- InChIKey
KRRRIIBBNFVIRX-UHFFFAOYSA-N- Molecular formula
- C14H7ClF4O
- Average molar mass
- 302.65 g/mol
- Monoisotopic mass
- 302.0121552
Names & identifiers
- Preferred name
- 5-(4-Fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
- IUPAC
- 5-(4-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
Names & synonyms
1214389-47-5DTXSID5011727804'-Fluoro-4-(trifluoromethyl)[1,1'-biphenyl]-3-carbonyl chloride4a(2)-Fluoro-4-(trifluoromethyl)[1,1a(2)-biphenyl]-3-carbonyl chloride
Database identifiers
- CAS
1214389-47-5- PubChem CID
- 46313263
- DTXSID
DTXSID501172780
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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