Basic information
- CAS
86711-73-1- Standard SMILES
CCCCCOC(=O)C(C)Br- InChIKey
IJSDPKDUSUXUFY-UHFFFAOYSA-N- Molecular formula
- C8H15BrO2
- Average molar mass
- 223.11 g/mol
- Monoisotopic mass
- 222.02554182
Names & identifiers
- Preferred name
- Pentyl 2-bromopropanoate
- IUPAC
- pentyl 2-bromopropanoate
- English name
- pentyl 2-bromopropanoate
- Molecular formula
- C8H15BrO2
- Molecular weight
- 223.11
Names & synonyms
Pentyl 2-bromopropanoate86711-73-1DTXSID20335088Propanoic acid, 2-bromo, pentyl esterRefChem:368263DTXCID702861772-Bromopropionic acid, pentyl esterIJSDPKDUSUXUFY-UHFFFAOYSA-N2- Bromopropionic acid, pentyl estern-pentyl 2-bromopropionatePentyl 2-bromopropanoate #SCHEMBL7198382
Show more names
Propanoic acid, 2-bromo-, pentyl ester
DA-41060
Database identifiers
- CAS
86711-73-1- PubChem CID
- 522862
- DTXSID
DTXSID20335088- Nikkaji
- J506.218G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 212 · 212.0±8.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Related reactions
2 records
Compound notes
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