Basic information
- CAS
7659-47-4- Standard SMILES
CC(CCl)CC#N- InChIKey
XRNJHVNFTYNNAO-UHFFFAOYSA-N- Molecular formula
- C5H8ClN
- Average molar mass
- 117.58 g/mol
- Monoisotopic mass
- 117.034527
Names & identifiers
- Preferred name
- 4-Chloro-3-methylbutanenitrile
- IUPAC
- 4-chloro-3-methylbutanenitrile
- English name
- 4-chloro-3-methylbutyronitrile
- Molecular formula
- C5H8ClN
- Molecular weight
- 117.57672
Names & synonyms
4-chloro-3-methylbutanenitrile7659-47-44-Chloro-3-methylbutyronitrileButanenitrile,4-chloro-3-methyl-NSC76586EINECS 231-625-9SCHEMBL9176570XRNJHVNFTYNNAO-UHFFFAOYSA-NDTXSID101306555NSC 76586NSC-76586AKOS006386924
Show more names
DS-007338NS00045563
Database identifiers
- CAS
7659-47-4- PubChem CID
- 98099
- DTXSID
DTXSID101306555- EC Number
- 231-625-9
- Nikkaji
- J307.915E
Properties
Computed structural properties
- XLogP
- 1.3
- 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
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…