Basic information
- CAS
50863-02-0- Standard SMILES
CC(=O)Nc1cc(Br)ccc1[N+](=O)[O-]- InChIKey
OZYXAZLLOVTHKF-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2O3
- Average molar mass
- 259.06 g/mol
- Monoisotopic mass
- 257.96400418
Names & identifiers
- Preferred name
- N-(5-bromo-2-nitrophenyl)acetamide
- IUPAC
- N-(5-bromo-2-nitrophenyl)acetamide
- English name
- N-{5-bromo-2-nitrophenyl}acetamide
- Molecular formula
- C8H7BrN2O3
- Molecular weight
- 259.06
Names & synonyms
N-(5-bromo-2-nitrophenyl)acetamide50863-02-0Acetamide, N-(5-bromo-2-nitrophenyl)-N-{5-bromo-2-nitrophenyl}acetamideSCHEMBL1841366DTXSID70391876OZYXAZLLOVTHKF-UHFFFAOYSA-NSBB102121AE-848/34430041SR-01000038229SR-01000038229-1
Database identifiers
- CAS
50863-02-0- PubChem CID
- 3368439
- DTXSID
DTXSID70391876
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 138 · 138-140 °C
- Boiling point
- 417.6 · 417.6±35.0 °C(Predicted)
- Density
- 1.72 · 1.720±0.06 g/cm3(Predicted)
- pka
- 13.16 · 13.16±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
Qingdao RENAS Polymer Material Co., Ltd.+86-0532-86867058 +86-18562606086 · [email protected]
Related reactions
4 records
Compound notes
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