Basic information
- CAS
98790-48-8- Standard SMILES
Nc1c(C(=O)O)cccc1C(=O)c1ccccc1- InChIKey
IZHBEYATINYYBL-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 2-Amino-3-benzoylbenzoic acid
- IUPAC
- 2-amino-3-benzoylbenzoic acid
- English name
- Nepafenac Impurity
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
2-amino-3-benzoylbenzoic acid98790-48-8Amino-3-benzoylbenzoic AcidNepafenac Impurity 2SCHEMBL2690787Benzoic acid, 2-amino-3-benzoyl-
Database identifiers
- CAS
98790-48-8- PubChem CID
- 13767309
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 491.8 · 491.8±40.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.10(Predicted)
Chemistry & industry
Suppliers6 total
孟成科技（上海）有限公司400-820-6829 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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