3-(Bromomethyl)cyclohexanecarbonitrile
Basic information
- CAS
7399-46-4- Standard SMILES
N#CC1CCCC(CBr)C1- InChIKey
VDLVKZNINMRGFK-UHFFFAOYSA-N- Molecular formula
- C8H12BrN
- Average molar mass
- 202.09 g/mol
- Monoisotopic mass
- 201.01531
Names & identifiers
- Preferred name
- 3-(Bromomethyl)cyclohexanecarbonitrile
- IUPAC
- 3-(bromomethyl)cyclohexane-1-carbonitrile
Names & synonyms
3-(bromomethyl)cyclohexane-1-carbonitrile7399-46-43-(bromomethyl)cyclohexanecarbonitrileNSC54358DTXSID10288135NSC-54358DS-004601
Database identifiers
- CAS
7399-46-4- PubChem CID
- 244002
- DTXSID
DTXSID10288135
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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