(4-Nitrophenyl)methyl 2,2-dibromo-3-oxobutanoate
Completing data — refresh the page later to see the latest
Basic information
- CAS
143231-42-9- Standard SMILES
CC(=O)C(Br)(Br)C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
LQBBVAZVJZCUNJ-UHFFFAOYSA-N- Molecular formula
- C11H9Br2NO5
- Average molar mass
- 395 g/mol
- Monoisotopic mass
- 392.88475
Names & identifiers
- Preferred name
- (4-Nitrophenyl)methyl 2,2-dibromo-3-oxobutanoate
- IUPAC
- (4-nitrophenyl)methyl 2,2-dibromo-3-oxobutanoate
- English name
- Butanoic acid, 2,2-dibroMo-3-oxo-, (4-nitrophenyl)Methyl ester
- Molecular formula
- C11H9Br2NO5
- Molecular weight
- 395.00086
Names & synonyms
Butanoic acid, 2,2-dibroMo-3-oxo-, (4-nitrophenyl)Methyl ester
Database identifiers
- CAS
143231-42-9- PubChem CID
- 85654034
- Nikkaji
- J488.812J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…