Basic information
- Standard SMILES
CC(=O)c1cc([N+](=O)[O-])ccc1Br- InChIKey
IDVDALYPPBDQFE-UHFFFAOYSA-N- Molecular formula
- C8H6BrNO3
- Average molar mass
- 244.04 g/mol
Names & identifiers
- Preferred name
- 1-(2-Bromo-5-nitrophenyl)ethanone
- IUPAC
- 1-(2-bromo-5-nitrophenyl)ethanone
Names & synonyms
1-(2-BROMO-5-NITROPHENYL)ETHANONE65130-31-62-bromo-5-nitroacetophenoneMFCD001566601-(2-Bromo-5-nitro-phenyl)ethanone1-(2-Bromo-5-nitro-phenyl)-ethanone1-(2-bromo-5-nitrophenyl)ethan-1-oneSCHEMBL4009107SCHEMBL29695698IDVDALYPPBDQFE-UHFFFAOYSA-NEthanone, 1-(2-bromo-5-nitrophenyl)-BS-29083
Show more names
SY362007DB-110808CS-0161956D950261-(2-Bromo-5-nitrophenyl)ethanone - [B92647]F5496812 inverted exclamation mark -Bromo-5 inverted exclamation mark -nitroacetophenone
Database identifiers
- PubChem CID
- 23402120
- Nikkaji
- J150.641B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Related reactions
2 records
Compound notes
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