2-Chloro-2-(3,4-dimethoxyphenyl)acetonitrile

HCID 14715199

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C(Cl)C#N)cc1OC
InChIKey: AFSNCSXRLHCEKN-UHFFFAOYSA-N
Molecular formula: C10H10ClNO2
Average molar mass: 211.64 g/mol
Monoisotopic mass: 211.0400063

Names & identifiers

Preferred name: 2-Chloro-2-(3,4-dimethoxyphenyl)acetonitrile
IUPAC: 2-chloro-2-(3,4-dimethoxyphenyl)acetonitrile

Names & synonyms

2-chloro-2-(3,4-dimethoxyphenyl)acetonitrile28750-77-8SCHEMBL7374640AFSNCSXRLHCEKN-UHFFFAOYSA-NAKOS011225099alpha-chloro-3,4-dimethoxybenzeneacetonitrile

Database identifiers

PubChem CID: 14715199

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 42.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Related reactions

4 records

New reaction record

HRID 273976As reactantuspto-grants-1995_02

HRID 863865As reactantuspto-grants-1996_10

HRID 1078734As reactantuspto-grants-1996_08

HRID 1684350As reactantuspto-grants-1997_06

Compound notes

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