Basic information
- CAS
1261794-86-8- Standard SMILES
NC(=O)c1ccc([N+](=O)[O-])c(Br)c1- InChIKey
WASHERDYVKIIBK-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2O3
- Average molar mass
- 245.03 g/mol
- Monoisotopic mass
- 243.94835
Names & identifiers
- Preferred name
- 3-Bromo-4-nitrobenzamide
- IUPAC
- 3-bromo-4-nitrobenzamide
Names & synonyms
3-bromo-4-nitrobenzamide1261794-86-83-bromo-4-nitro-benzamideMFCD18392262SCHEMBL14656769WASHERDYVKIIBK-UHFFFAOYSA-NDTXSID701313324DB-165521A1-10145
Database identifiers
- CAS
1261794-86-8- PubChem CID
- 71236967
- DTXSID
DTXSID701313324
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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