2',4'-Difluoro-gamma-oxo(1,1'-biphenyl)-4-butanoic acid
Basic information
- CAS
39241-03-7- Standard SMILES
O=C(O)CCC(=O)c1ccc(-c2ccc(F)cc2F)cc1- InChIKey
IIMOBFFVEGJVHQ-UHFFFAOYSA-N- Molecular formula
- C16H12F2O3
- Average molar mass
- 290.26 g/mol
- Monoisotopic mass
- 290.07545056
Names & identifiers
- Preferred name
- 2',4'-Difluoro-gamma-oxo(1,1'-biphenyl)-4-butanoic acid
- IUPAC
- 4-[4-(2,4-difluorophenyl)phenyl]-4-oxobutanoic acid
Names & synonyms
39241-03-7(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-gamma-oxo-DTXSID00192499RefChem:1058591DTXCID601149902',4'-Difluoro-gamma-oxo(1,1'-biphenyl)-4-butanoic acid4-(2',4'-DIFLUORO[1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID4-(2',4'-difluorobiphenyl-4-yl)-4-oxobutanoic acid2',4'-Difluoro-gamma-oxo-(1,1'-biphenyl)-4-butanoic acidLactonol of (Z)-4-(2',4'-difluorobiphenyl-4-yl)-3-methyl-4-oxobut-2-enoic acidSCHEMBL11758065IIMOBFFVEGJVHQ-UHFFFAOYSA-N
Show more names
4-(2',4'-difluoro-4-biphenylyl)-4-oxo-butyric acid2 inverted exclamation marka,4 inverted exclamation marka-Difluoro-|A-oxo[1,1 inverted exclamation marka-biphenyl]-4-butanoic acid
Database identifiers
- CAS
39241-03-7- PubChem CID
- 217676
- DTXSID
DTXSID00192499
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Related reactions
4 records
Compound notes
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