Basic information
- CAS
6490-96-6- Standard SMILES
O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O- InChIKey
ABTIIXYUQVIQQP-UHFFFAOYSA-N- Molecular formula
- C13H9BrN2O4
- Average molar mass
- 337.12 g/mol
- Monoisotopic mass
- 335.97457
Names & identifiers
- Preferred name
- 4'-Bromo-5-nitrosalicylanilide
- IUPAC
- N-(4-bromophenyl)-2-hydroxy-5-nitrobenzamide
- English name
- N-(4-Bromophenyl)-5-nitrosalicylamide
- Molecular formula
- C13H9BrN2O4
- Molecular weight
- 337.13
Names & synonyms
4'-Bromo-5-nitrosalicylanilideSalicylanilide, 4'-bromo-5-nitro-8VJ3PMB7YGNSC-22900DTXSID902152224-12-00-01521 (Beilstein Handbook Reference)RefChem:95931DTXCID90137713n-(4-bromophenyl)-2-hydroxy-5-nitrobenzamide6490-96-6Benzamide, N-(4-bromophenyl)-2-hydroxy-5-nitro-NSC 22900
Show more names
N-(4-Bromophenyl)-5-nitrosalicylamide
BRN 2758562AI3-51380NSC22900UNII-8VJ3PMB7YGWLN: WNR DQ CVMR DECHEMBL21811N-(4-bromophenyl)-2-hydroxy-5-nitro-benzamideN-(4-Bromo-phenyl)-2-hydroxy-5-nitro-benzamide
Database identifiers
- CAS
6490-96-6- PubChem CID
- 95196
- DTXSID
DTXSID90215222- ChEMBL
CHEMBL21811- UNII
- 8VJ3PMB7YG
- Nikkaji
- J48.308G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 423.8 · 423.8±45.0 °C(Predicted)
- Density
- 1.73 · 1.730±0.06 g/cm3(Predicted)
- pka
- 5.52 · 5.52±0.16(Predicted)
- FDA UNII
- 8 VJ3PMB7YG · 8VJ3PMB7YG
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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