Basic information
- CAS
75852-60-7- Standard SMILES
CC(C(=O)O)c1cc(F)cc(-c2ccccc2)c1- InChIKey
XWGXYBHCFSEUGR-UHFFFAOYSA-N- Molecular formula
- C15H13FO2
- Average molar mass
- 244.26 g/mol
- Monoisotopic mass
- 244.08995782
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 5-fluoro-alpha-methyl-
- IUPAC
- 2-(3-fluoro-5-phenylphenyl)propanoic acid
- English name
- 5-Fluoro-alpha-methyl-3-biphenylacetic acid
- Molecular formula
- C15H13FO2
- Molecular weight
- 244.26
Names & synonyms
75852-60-75-Fluoro-alpha-methyl-3-biphenylacetic acidBRN 50300333-BIPHENYLACETIC ACID, 5-FLUORO-alpha-METHYL-RefChem:277118CHEMBL142376DTXSID609972402-(5-Fluoro[1,1'-biphenyl]-3-yl)propanoic acid[1,1'-Biphenyl]-3-acetic acid, 5-fluoro-α-methyl-
Database identifiers
- CAS
75852-60-7- PubChem CID
- 53385
- DTXSID
DTXSID60997240- ChEMBL
CHEMBL142376- Nikkaji
- J70.017G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 101 · 101-103 °C(Solv: hexane (110-54-3))
- Boiling point
- 391.8 · 391.8±30.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 4.1 · 4.10±0.13(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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