Basic information
- CAS
75852-61-8- Standard SMILES
CC(C(=O)O)c1cc(F)cc(-c2ccc(Cl)cc2)c1- InChIKey
SGOZMRCRRSPKOY-UHFFFAOYSA-N- Molecular formula
- C15H12ClFO2
- Average molar mass
- 278.7 g/mol
- Monoisotopic mass
- 278.0509855
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4'-chloro-5-fluoro-alpha-methyl-
- IUPAC
- 2-[3-(4-chlorophenyl)-5-fluorophenyl]propanoic acid
- English name
- 4'-Chloro-5-fluoro-alpha-methyl-3-biphenylacetic acid
- Molecular formula
- C15H12ClFO2
- Molecular weight
- 278.71
Names & synonyms
75852-61-8BRN 50595014'-Chloro-5-fluoro-alpha-methyl-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 4'-CHLORO-5-FLUORO-alpha-METHYL-RefChem:2770972-[3-(4-chlorophenyl)-5-fluorophenyl]propanoic acidCHEMBL142431DTXSID209972412-(4'-Chloro-5-fluoro[1,1'-biphenyl]-3-yl)propanoic acid[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-fluoro-α-methyl-
Database identifiers
- CAS
75852-61-8- PubChem CID
- 53386
- DTXSID
DTXSID20997241- ChEMBL
CHEMBL142431- Nikkaji
- J78.975E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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