Benoxaprofen ammonium
Basic information
- CAS
70062-36-1- Standard SMILES
CC(C(=O)[O-])c1ccc2oc(-c3ccc(Cl)cc3)nc2c1.[NH4+]- InChIKey
DNGLOBZMXKFACM-UHFFFAOYSA-N- Molecular formula
- C16H15ClN2O3
- Average molar mass
- 318.75 g/mol
- Monoisotopic mass
- 318.07712
Names & identifiers
- Preferred name
- Benoxaprofen ammonium
- IUPAC
- azanium 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate
Names & synonyms
Benoxaprofen ammonium70062-36-1825YBQ31XFAmmonium 2-(2-(4-chlorophenyl)benzo[d]oxazol-5-yl)propanoateEINECS 274-298-8UNII-825YBQ31XFAmmonium 2-(4-chlorophenyl)benzoxazole-5-propionate5-BENZOXAZOLEACETIC ACID, 2-(4-CHLOROPHENYL)-.ALPHA.-METHYL-, AMMONIUM SALT (1:1)
Database identifiers
- CAS
70062-36-1- PubChem CID
- 3017983
- UNII
- 825YBQ31XF
- EC Number
- 274-298-8
Properties
Computed structural properties
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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