Basic information
- CAS
29378-97-0- Standard SMILES
O=C(Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1O- InChIKey
JXBWRDYVZDBUIU-UHFFFAOYSA-N- Molecular formula
- C13H9BrN2O4
- Average molar mass
- 337.12 g/mol
- Monoisotopic mass
- 335.97457
Names & identifiers
- Preferred name
- 2'-Bromo-3-nitrosalicylanilide
- IUPAC
- N-(2-bromophenyl)-2-hydroxy-3-nitrobenzamide
- English name
- 2BROMO3NITROSALICYLANILIDE
- Molecular formula
- C13H9BrN2O4
- Molecular weight
- 0
Names & synonyms
2'-Bromo-3-nitrosalicylaniliden-(2-bromophenyl)-2-hydroxy-3-nitrobenzamide29378-97-0Benzamide, N-(2-bromophenyl)-2-hydroxy-3-nitro-5O5J63LP99NSC 328476NSC-328476UNII-5O5J63LP99DTXSID40183609SALICYLANILIDE, 2'-BROMO-3-NITRO-RefChem:80209DTXCID30106100
Show more names
2BROMO3NITROSALICYLANILIDE
Benzamide, N-(2-bromophenyl)-2-hydroxy-3-nitro-(9CI)NSC328476SCHEMBL2060981CHEMBL1997234NCI60_002856DS-009789Benzamide,N-(2-bromophenyl)-2-hydroxy-3-nitro-
Database identifiers
- CAS
29378-97-0- PubChem CID
- 100601
- DTXSID
DTXSID40183609- ChEMBL
CHEMBL1997234- UNII
- 5O5J63LP99
- Nikkaji
- J1.582.163I
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 374
Physicochemical properties
- FDA UNII
- 5 O5J63LP99 · 5O5J63LP99
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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