Basic information
- CAS
27455-38-5- Standard SMILES
O=C(O)c1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1- InChIKey
SRXKTPVLXFSRIH-UHFFFAOYSA-N- Molecular formula
- C17H10ClNO5
- Average molar mass
- 343.7 g/mol
- Monoisotopic mass
- 343.0247501
Names & identifiers
- Preferred name
- BENZOIC ACID, p-(6-CHLORO-4-OXO-4H-1-BENZOPYRAN-2-CARBOXAMIDO)-
- IUPAC
- 4-[(6-chloro-4-oxochromene-2-carbonyl)amino]benzoic acid
- English name
- p-[[(6-Chloro-4-oxo-4H-1-benzopyran-2-yl)carbonyl]amino]benzoic acid
- Molecular formula
- C17H10ClNO5
- Molecular weight
- 343.72
Names & synonyms
27455-38-5BENZOIC ACID, p-(6-CHLORO-4-OXO-4H-1-BENZOPYRAN-2-CARBOXAMIDO)-BRN 1399762p-(6-Chloro-4-oxo-4H-1-benzopyran-2-carboxamido)benzoic acidDTXSID501818734-(6-Chloro-4-oxo-4H-1-benzopyran-2-carboxamido)benzoic acidp-[[(6-Chloro-4-oxo-4H-1-benzopyran-2-yl)carbonyl]amino]benzoic acidBenzoic acid, 4-[[(6-chloro-4-oxo-4H-1-benzopyran-2-yl)carbonyl]amino]-
Database identifiers
- CAS
27455-38-5- PubChem CID
- 33862
- DTXSID
DTXSID50181873- Nikkaji
- J87.181H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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