Basic information
- CAS
40415-14-3- Standard SMILES
O=C(c1ccc(Cl)cc1)c1ccc(C(=O)O)c(C(=O)O)c1- InChIKey
AVJIXLNSRMANJU-UHFFFAOYSA-N- Molecular formula
- C15H9ClO5
- Average molar mass
- 304.68 g/mol
- Monoisotopic mass
- 304.0138511
Names & identifiers
- Preferred name
- 4-(4-Chlorobenzoyl)phthalic acid
- IUPAC
- 4-(4-chlorobenzoyl)phthalic acid
Names & synonyms
4-(4-chlorobenzoyl)phthalic acid40415-14-3SCHEMBL1514486AVJIXLNSRMANJU-UHFFFAOYSA-NDTXSID9013025214-(4-chlorobenzoyl) phthalic acid4-(4-CHLOROBENZOYL)BENZENE-1,2-DICARBOXYLIC ACID
Database identifiers
- CAS
40415-14-3- PubChem CID
- 20081997
- DTXSID
DTXSID901302521
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Related reactions
4 records
Compound notes
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