Basic information
- CAS
2513-50-0- Standard SMILES
O=C(O)c1ccccc1C(=O)c1ccc(O)c(Cl)c1O- InChIKey
CRJHUWQXYUHUHM-UHFFFAOYSA-N- Molecular formula
- C14H9ClO5
- Average molar mass
- 292.67 g/mol
- Monoisotopic mass
- 292.0138511
Names & identifiers
- Preferred name
- 2-(3-Chloro-2,4-dihydroxybenzoyl)benzoic acid
- IUPAC
- 2-(3-chloro-2,4-dihydroxybenzoyl)benzoic acid
Names & synonyms
2-(3-Chloro-2,4-dihydroxybenzoyl)benzoic acid2513-50-0RefChem:251457o-(3-Chloro-2,4-dihydroxybenzoyl)benzoic acidCRJHUWQXYUHUHM-UHFFFAOYSA-NDTXSID4012548282-(3-Chloro-2,4-dihydroxybenzoyl)benzoic acid #
Database identifiers
- CAS
2513-50-0- PubChem CID
- 623684
- DTXSID
DTXSID401254828- Nikkaji
- J1.429.016H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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