Basic information
- Standard SMILES
O=C([O-])CCCCCBr- InChIKey
NVRVNSHHLPQGCU-UHFFFAOYSA-M- Molecular formula
- C6H10BrO2-
- Average molar mass
- 194.05 g/mol
Overview
demonstrate a high degree of reactivity with PBC
Names & identifiers
- Preferred name
- 6-Bromohexanoate
- IUPAC
- 6-bromohexanoate
Names & synonyms
6-bromohexanoateRefChem:9138644-BromoethylbutyrateNVRVNSHHLPQGCU-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 6999868
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- -1
- Complexity
- 77.6
Related reactions
7 records
Compound notes
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