Basic information
- CAS
344281-45-4- Standard SMILES
O=C(CC(C(=O)O)c1c(F)cccc1Cl)c1ccc(Cl)cc1- InChIKey
CVNAUENCSVSXRV-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2FO3
- Average molar mass
- 341.2 g/mol
- Monoisotopic mass
- 340.0069278
Names & identifiers
- Preferred name
- 2-(2-Chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-oxobutanoic acid
- IUPAC
- 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-oxobutanoic acid
Names & synonyms
2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-oxobutanoic acid344281-45-4Oprea1_448701MLS001165282SCHEMBL7827264CHEMBL1427760DTXSID301177289HMS2866L07AKOS0050983407J-583SSMR0005497042-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-oxobutanoicacid
Show more names
4-Chloro-I+/--(2-chloro-6-fluorophenyl)-I(3)-oxobenzenebutanoic acid
Database identifiers
- CAS
344281-45-4- PubChem CID
- 3772002
- DTXSID
DTXSID301177289- ChEMBL
CHEMBL1427760
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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