2-Bromo-n-(2-nitrophenyl)acetamide
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Basic information
- CAS
5326-94-3- Standard SMILES
O=C(CBr)Nc1ccccc1[N+](=O)[O-]- InChIKey
MDQWPKGGEFPESZ-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2O3
- Average molar mass
- 259.06 g/mol
- Monoisotopic mass
- 257.964
Names & identifiers
- Preferred name
- 2-Bromo-n-(2-nitrophenyl)acetamide
- IUPAC
- 2-bromo-N-(2-nitrophenyl)acetamide
- English name
- 2-bromo-N-(2-nitrophenyl)acetamide
- Molecular formula
- C8H7BrN2O3
- Molecular weight
- 259.06
Names & synonyms
2-bromo-n-(2-nitrophenyl)acetamide5326-94-3NSC4088SCHEMBL1702972DTXSID80277773MDQWPKGGEFPESZ-UHFFFAOYSA-NNSC-4088AKOS005288908Acetamide, 2-bromo-N-(2-nitrophenyl)-
Database identifiers
- CAS
5326-94-3- PubChem CID
- 220787
- DTXSID
DTXSID80277773- Nikkaji
- J2.903.232G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 74 °C · 74 °C(Solv: ethanol (64-17-5))
- Boiling point
- 431.1 · 431.1±30.0 °C(Predicted)
- Density
- 1.755 · 1.755±0.06 g/cm3(Predicted)
- pka
- 11.24 · 11.24±0.70(Predicted)
Related reactions
4 records
Compound notes
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