Basic information
- CAS
16611-61-3- Standard SMILES
COc1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1- InChIKey
LJIVEAWXBAOREJ-UHFFFAOYSA-N- Molecular formula
- C14H13N3O4
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.0906059
Names & identifiers
- Preferred name
- 4-(4-Methoxyanilino)-3-nitrobenzamide
- IUPAC
- 4-(4-methoxyanilino)-3-nitrobenzamide
- English name
- Benzamide, 4-[(4-methoxyphenyl)amino]-3-nitro-
- Molecular formula
- C14H13N3O4
- Molecular weight
- 287.27
Names & synonyms
4-(4-methoxyanilino)-3-nitrobenzamideMLS000772673CHEMBL1379267DTXSID101326026HMS2713H04STL419601AKOS02525637216611-61-3SMR0003446374-[(4-methoxyphenyl)amino]-3-nitrobenzamideZ31202273Benzamide, 4-[(4-methoxyphenyl)amino]-3-nitro-
Database identifiers
- CAS
16611-61-3- PubChem CID
- 4883496
- DTXSID
DTXSID101326026- ChEMBL
CHEMBL1379267
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Solubility14.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 440.643 · 440.643±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
德阳海君港科技有限责任公司15883665058 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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