2-Pentanone, 5-(acetyloxy)-1-bromo-
Basic information
- CAS
20206-80-8- Standard SMILES
CC(=O)OCCCC(=O)CBr- InChIKey
AVKQWZGKSJQEAN-UHFFFAOYSA-N- Molecular formula
- C7H11BrO3
- Average molar mass
- 223.06 g/mol
- Monoisotopic mass
- 221.98916
Names & identifiers
- Preferred name
- 2-Pentanone, 5-(acetyloxy)-1-bromo-
- IUPAC
- (5-bromo-4-oxopentyl) acetate
- English name
- BROMOACETOPROPYLACETATE
- Molecular formula
- C7H11BrO3
- Molecular weight
- 223.06
Names & synonyms
Bromoacetopropyl acetateBromoacetylpropyl acetate1-Bromo-5-hydroxy-2-pentanone acetate3-(Bromoacetyl)propyl acetate5-(Acetyloxy)-1-bromo-2-pentanone2-Pentanone, 5-(acetyloxy)-1-bromo-BRN 592170420206-80-82-Pentanone, 1-bromo-5-hydroxy-, acetateDTXSID60174054RefChem:265010DTXCID7096545
Show more names
BROMOACETOPROPYLACETATE5-bromo-4-oxophenyl acetate
2-Pentanone, 5-(acetyloxy)-1-bromo-(9CI)5-bromo-4-oxopentyl acetate2-Pentanone, 5-(acetyloxy)-1-bromo- (9CI)SCHEMBL22897374
Database identifiers
- CAS
20206-80-8- PubChem CID
- 197994
- DTXSID
DTXSID60174054- Nikkaji
- J69.492D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 283.8 · 283.8±20.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
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Compound notes
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