Basic information
- CAS
28666-02-6- Standard SMILES
CCCC(Br)C#N- InChIKey
OETNUCMBHKNECJ-UHFFFAOYSA-N- Molecular formula
- C5H8BrN
- Average molar mass
- 162.03 g/mol
- Monoisotopic mass
- 160.98401136
Names & identifiers
- Preferred name
- 2-Bromopentanenitrile
- IUPAC
- 2-bromopentanenitrile
Names & synonyms
2-Bromopentanenitrile28666-02-6DTXSID90499540RefChem:257685DTXCID10450350BROMOVALERONITRILESCHEMBL7691893OETNUCMBHKNECJ-UHFFFAOYSA-NAKOS017529167
Database identifiers
- CAS
28666-02-6- PubChem CID
- 12470645
- DTXSID
DTXSID90499540- Nikkaji
- J3.177.021A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 81.3
Related reactions
1 records
Compound notes
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