Basic information
- CAS
64037-74-7- Standard SMILES
COC(=O)CCC(Br)C(C)=O- InChIKey
AOWIKWNIPGIZGG-UHFFFAOYSA-N- Molecular formula
- C7H11BrO3
- Average molar mass
- 223.06 g/mol
- Monoisotopic mass
- 221.98916
Names & identifiers
- Preferred name
- Methyl 4-bromo-5-oxohexanoate
- IUPAC
- methyl 4-bromo-5-oxohexanoate
- English name
- 4-Acetyl-4-bromobutyric acid methyl ester
- Molecular formula
- C7H11BrO3
- Molecular weight
- 223.06
Names & synonyms
methyl 4-bromo-5-oxohexanoate64037-74-7DTXSID30982027RefChem:1089465DTXCID3014092924-Acetyl-4-bromobutyric acid methyl esterBromacetopropylacetateBRN 1939010BUTYRIC ACID, 4-ACETYL-4-BROMO-, METHYL ESTERDB-305461EN300-22430703Hexanoic acid, 4-bromo-5-oxo-, methyl ester
Database identifiers
- CAS
64037-74-7- PubChem CID
- 46438
- DTXSID
DTXSID30982027- Nikkaji
- J65.852I
Properties
Computed structural properties
- XLogP
- 1
- 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
- 156
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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