1-(5-Bromo-2-methoxy-3-nitrophenyl)ethan-1-one
Basic information
- Standard SMILES
COc1c(C(C)=O)cc(Br)cc1[N+](=O)[O-]- InChIKey
PVSWQZFTEOYXDY-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO4
- Average molar mass
- 274.07 g/mol
- Monoisotopic mass
- 272.96367
Names & identifiers
- Preferred name
- 1-(5-Bromo-2-methoxy-3-nitrophenyl)ethan-1-one
- IUPAC
- 1-(5-bromo-2-methoxy-3-nitrophenyl)ethanone
Names & synonyms
1-(5-Bromo-2-methoxy-3-nitrophenyl)ethan-1-one474554-55-71-(5-Bromo-2-methoxy-3-nitrophenyl)-1-ethanone1-(5-bromo-2-methoxy-3-nitrophenyl)ethanoneSCHEMBL1728806PVSWQZFTEOYXDY-UHFFFAOYSA-NMFCD299664301-(5-bromo-2-methoxy-3-nitro-phenyl)ethanoneA1-08765
Database identifiers
- PubChem CID
- 22929697
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Related reactions
4 records
Compound notes
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