Basic information
- CAS
128-74-5- Standard SMILES
O=C1C=CC(=C(c2ccc(O)cc2)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)C=C1- InChIKey
AXPRZNDIUUDRBO-UHFFFAOYSA-N- Molecular formula
- C20H10Cl4O4
- Average molar mass
- 456.1 g/mol
- Monoisotopic mass
- 453.93332
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrachloro-6-[(4-hydroxyphenyl)(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid
- IUPAC
- 2,3,4,5-tetrachloro-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid
Names & synonyms
128-74-5NSC439462,3,4,5-tetrachloro-6-[(4-hydroxyphenyl)(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid2,3,4,5-tetrachloro-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acidCHEMBL151477DTXSID70286157NSC-43946Benzoic acid, 2,3,4,5-tetrachloro-6-[(4-hydroxyphenyl)(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-
Database identifiers
- CAS
128-74-5- PubChem CID
- 239141
- DTXSID
DTXSID70286157- ChEMBL
CHEMBL151477- Nikkaji
- J1.699.363H
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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