2-(2,4,5-Trichloroimidazol-1-yl)acetonitrile
Basic information
- CAS
136238-45-4- Standard SMILES
N#CCn1c(Cl)nc(Cl)c1Cl- InChIKey
GAIJOZDPDSUWOM-UHFFFAOYSA-N- Molecular formula
- C5H2Cl3N3
- Average molar mass
- 210.44 g/mol
- Monoisotopic mass
- 208.93143
Names & identifiers
- Preferred name
- 2-(2,4,5-Trichloroimidazol-1-yl)acetonitrile
- IUPAC
- 2-(2,4,5-trichloroimidazol-1-yl)acetonitrile
Names & synonyms
136238-45-4Acetonitrile, 2-(2,4,5-trichloroimidazol-1-yl)-2-(2,4,5-trichloroimidazol-1-yl)acetonitrileDTXSID20159741(2,4,5-Trichloro-1H-imidazol-1-yl)acetonitrile
Database identifiers
- CAS
136238-45-4- PubChem CID
- 178305
- DTXSID
DTXSID20159741
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…