Basic information
- CAS
16739-20-1- Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1O- InChIKey
NROPOQBHSPADAA-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2O4
- Average molar mass
- 327.12 g/mol
- Monoisotopic mass
- 325.9861121
Names & identifiers
- Preferred name
- 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
- IUPAC
- 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
- English name
- Benzamide, 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-
- Molecular formula
- C13H8Cl2N2O4
- Molecular weight
- 327.12
Names & synonyms
16739-20-13-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamideSCHEMBL8058544SCHEMBL29936128Niclosamide Impurity 3Benzamide, 3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-
Database identifiers
- CAS
16739-20-1- PubChem CID
- 23189386
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 406.5 · 406.5±45.0 °C(Predicted)
- Density
- 1.615 · 1.615±0.06 g/cm3(Predicted)
- pka
- 6.42 · 6.42±0.35(Predicted)
Chemistry & industry
Suppliers7 total
孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
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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