Basic information
- Standard SMILES
CC(C)OC(=O)CC(=O)CBr- InChIKey
BBSVZBRQVFPVPD-UHFFFAOYSA-N- Molecular formula
- C7H11BrO3
- Average molar mass
- 223.06 g/mol
Names & identifiers
- Preferred name
- Isopropyl 4-bromo-3-oxobutanoate
- IUPAC
- propan-2-yl 4-bromo-3-oxobutanoate
Names & synonyms
isopropyl 4-bromo-3-oxobutanoate134969-44-1SCHEMBL5175419BBSVZBRQVFPVPD-UHFFFAOYSA-NDB-171577
Database identifiers
- PubChem CID
- 11075004
- Nikkaji
- J873.415A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Related reactions
2 records
Compound notes
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