Basic information
- CAS
21316-51-8- Standard SMILES
N#CCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
NETAEENURPVOMI-UHFFFAOYSA-N- Molecular formula
- C8H2Cl5N
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 286.862988
Names & identifiers
- Preferred name
- (Pentachlorophenyl)acetonitrile
- IUPAC
- 2-(2,3,4,5,6-pentachlorophenyl)acetonitrile
Names & synonyms
21316-51-8(pentachlorophenyl)acetonitrileNSC85632NCIOpen2_004902DTXSID10943833NSC-85632
Database identifiers
- CAS
21316-51-8- PubChem CID
- 257531
- DTXSID
DTXSID10943833
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…