2-Bromoethyl 3-bromopropanoate
Basic information
- CAS
4823-45-4- Standard SMILES
O=C(CCBr)OCCBr- InChIKey
KSSXIUMIROMKKE-UHFFFAOYSA-N- Molecular formula
- C5H8Br2O2
- Average molar mass
- 259.92 g/mol
- Monoisotopic mass
- 257.8891
Names & identifiers
- Preferred name
- 2-Bromoethyl 3-bromopropanoate
- IUPAC
- 2-bromoethyl 3-bromopropanoate
- English name
- 2-bromoethyl 3-bromopropanoate
- Molecular formula
- C5H8Br2O2
- Molecular weight
- 259.92
Names & synonyms
2-bromoethyl 3-bromopropanoate4823-45-4NSC74622SCHEMBL11514649DTXSID30291267NSC-74622DS-013020Propanoic acid, 3-bromo-, 2-bromoethyl ester3-bromo-propionic acid-(2-bromo-ethyl ester)2-bromoethyl 3-bromopropanoate CAS NO.4823-45-4
Database identifiers
- CAS
4823-45-4- PubChem CID
- 252556
- DTXSID
DTXSID30291267
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 126 · 126-130 °C(Press: 15 Torr)
- Density
- 1.844 · 1.844±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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