Octyl 2-bromopropanoate
Basic information
- CAS
24625-82-9- Standard SMILES
CCCCCCCCOC(=O)C(C)Br- InChIKey
BOCFEZOZUMAGFA-UHFFFAOYSA-N- Molecular formula
- C11H21BrO2
- Average molar mass
- 265.19 g/mol
- Monoisotopic mass
- 264.07249
Names & identifiers
- Preferred name
- Octyl 2-bromopropanoate
- IUPAC
- octyl 2-bromopropanoate
- English name
- 2-Bromopropanoic acid octyl ester
- Molecular formula
- C11H21BrO2
- Molecular weight
- 265.19
Names & synonyms
Octyl 2-bromopropanoate24625-82-9DTXSID70334263RefChem:366912DTXCID802853532-Bromopropionic acid, octyl esterBOCFEZOZUMAGFA-UHFFFAOYSA-NPropanoic acid, 2-bromo-, octyl esterOctyl 2-bromopropionate2- Bromopropionic acid, octyl esterOctyl 2-bromopropanoate #SCHEMBL7133351
Show more names
2-Bromopropanoic acid octyl ester2-Bromo-propionic acid octyl ester
DB-173156
Database identifiers
- CAS
24625-82-9- PubChem CID
- 520143
- DTXSID
DTXSID70334263- Nikkaji
- J257.993F
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 258.1 · 258.1±8.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
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Compound notes
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