Basic information
- CAS
17332-60-4- Standard SMILES
O=C(O)c1ccccc1C(=O)Nc1ncccn1- InChIKey
WZPJLRNYHFVOJY-UHFFFAOYSA-N- Molecular formula
- C12H9N3O3
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.06439116
Overview
ligand that forms chelates with Cu, Ni, Co, Zn, and Mn
Names & identifiers
- Preferred name
- N-pyrimidinobenzamide-2-carboxylic acid
- IUPAC
- 2-(pyrimidin-2-ylcarbamoyl)benzoic acid
- English name
- N-pyrimidinobenzamide-2-carboxylic acid
- Molecular formula
- C12H9N3O3
- Molecular weight
- 243.22
Names & synonyms
NPBCA17332-60-4N-Pyrimidinobenzamide-2-carboxylic acidDTXSID90169594RefChem:164173DTXCID00920852-(pyrimidin-2-ylcarbamoyl)benzoic acidBAS 02106550Oprea1_657190SCHEMBL18132569AKOS0005990572-(N-pyrimidin-2-ylcarbamoyl)benzoic acid
Show more names
Benzoic acid, 2-[(2-pyrimidinylamino)carbonyl]-
ST500121372-[(PYRIMIDIN-2-YL)CARBAMOYL]BENZOIC ACIDBenzoic acid, 2-((2-pyrimidinylamino)carbonyl)-SR-01000370601SR-01000370601-1
Database identifiers
- CAS
17332-60-4- PubChem CID
- 167641
- DTXSID
DTXSID90169594
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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