Basic information
- CAS
86711-74-2- Standard SMILES
CC(C)CCOC(=O)C(C)Br- InChIKey
GVDWMKVPTHSZKA-UHFFFAOYSA-N- Molecular formula
- C8H15BrO2
- Average molar mass
- 223.11 g/mol
- Monoisotopic mass
- 222.02554
Names & identifiers
- Preferred name
- Isopentyl 2-bromopropanoate
- IUPAC
- 3-methylbutyl 2-bromopropanoate
Names & synonyms
Isopentyl 2-bromopropanoate2-Bromopropionic acid, 3-methylbutyl ester86711-74-2DTXSID80335089Propanoic acid, 2-bromo, isopentyl esterPropanoic acid, 2-bromo, 3-methylbutyl esterRefChem:349750DTXCID30286178GVDWMKVPTHSZKA-UHFFFAOYSA-N3-methylbutyl 2-bromopropanoateisopentyl 2-bromopropionateIsopentyl 2-bromopropanoate #
Show more names
SCHEMBL8113920
Database identifiers
- CAS
86711-74-2- PubChem CID
- 522863
- DTXSID
DTXSID80335089
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Related reactions
2 records
Compound notes
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