2-(2,6-Dichloro-3,5-dimethoxyphenyl)acetonitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
869882-16-6- Standard SMILES
COc1cc(OC)c(Cl)c(CC#N)c1Cl- InChIKey
AZUUAIVVBYHHDN-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2NO2
- Average molar mass
- 246.09 g/mol
- Monoisotopic mass
- 245.0010339
Names & identifiers
- Preferred name
- 2-(2,6-Dichloro-3,5-dimethoxyphenyl)acetonitrile
- IUPAC
- 2-(2,6-dichloro-3,5-dimethoxyphenyl)acetonitrile
- English name
- 2-(2,6-dichloro-3,5-dimethoxyphenyl)acetonitrile
- Molecular formula
- C10H9Cl2NO2
- Molecular weight
- 246.09
Names & synonyms
2-(2,6-dichloro-3,5-dimethoxyphenyl)acetonitrile869882-16-6starbld0017716SCHEMBL1135022AZUUAIVVBYHHDN-UHFFFAOYSA-NAKOS025287275C912922-(2,6-dichloro-3,5-dimethoxy-phenyl)acetonitrile(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)ACETONITRILE2-(2,6-Dichloro-3,5-dimethoxyphenyl)acetonitrile, 97%132883Benzeneacetonitrile, 2,6-dichloro-3,5-dimethoxy-
Database identifiers
- CAS
869882-16-6- PubChem CID
- 59198503
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 370.7 · 370.7±37.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…