2-[(5-Chloro-2-hydroxyphenyl)carbamoyl]benzoic acid
Basic information
- CAS
78431-27-3- Standard SMILES
O=C(O)c1ccccc1C(=O)Nc1cc(Cl)ccc1O- InChIKey
WYWWPNXAQLBBBJ-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO4
- Average molar mass
- 291.68 g/mol
- Monoisotopic mass
- 291.0298355
Names & identifiers
- Preferred name
- 2-[(5-Chloro-2-hydroxyphenyl)carbamoyl]benzoic acid
- IUPAC
- 2-[(5-chloro-2-hydroxyphenyl)carbamoyl]benzoic acid
Names & synonyms
Oprea1_4980862-[(5-chloro-2-hydroxyphenyl)carbamoyl]benzoic acid2-[[(5-Chloro-2-hydroxyphenyl)amino]carbonyl]benzoic acidDTXSID501198780AKOS00281365078431-27-3SR-01000402181SR-01000402181-1
Database identifiers
- CAS
78431-27-3- PubChem CID
- 1104152
- DTXSID
DTXSID501198780
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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