4-(3'-Chloro-4-biphenylyl)-4-oxo-butyric acid
Basic information
- CAS
41386-34-9- Standard SMILES
O=C(O)CCC(=O)c1ccc(-c2cccc(Cl)c2)cc1- InChIKey
ZSUVALXYILLPFU-UHFFFAOYSA-N- Molecular formula
- C16H13ClO3
- Average molar mass
- 288.72 g/mol
- Monoisotopic mass
- 288.055322
Names & identifiers
- Preferred name
- 4-(3'-Chloro-4-biphenylyl)-4-oxo-butyric acid
- IUPAC
- 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanoic acid
Names & synonyms
4-(3'-chloro-4-biphenylyl)-4-oxo-butyric acidSCHEMBL11760457ZSUVALXYILLPFU-UHFFFAOYSA-NDTXSID201247475AKOS00411613741386-34-94-(3'-Chloro[1,1'-biphenyl]-4-yl)-4-oxobutanoic acid3a(2)-Chloro-I(3)-oxo[1,1a(2)-biphenyl]-4-butanoic acid
Database identifiers
- CAS
41386-34-9- PubChem CID
- 23005237
- DTXSID
DTXSID201247475
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…