Basic information
- CAS
7621-76-3- Standard SMILES
CC(Br)C(=O)Nc1cccc([N+](=O)[O-])c1- InChIKey
SRDJJQHVSHIKNR-UHFFFAOYSA-N- Molecular formula
- C9H9BrN2O3
- Average molar mass
- 273.08 g/mol
- Monoisotopic mass
- 271.97965
Names & identifiers
- Preferred name
- 2-bromo-N-(3-nitrophenyl)propanamide
- IUPAC
- 2-bromo-N-(3-nitrophenyl)propanamide
Names & synonyms
2-bromo-N-(3-nitrophenyl)propanamide7621-76-3NSC56888SCHEMBL10692848NSC-56888
Database identifiers
- CAS
7621-76-3- PubChem CID
- 245191
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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