2-(2,3-Difluorophenyl)propanenitrile

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Basic information

Standard SMILES: CC(C#N)c1cccc(F)c1F
InChIKey: NCQUUMLRRPUAQG-UHFFFAOYSA-N
Molecular formula: C9H7F2N
Average molar mass: 167.15 g/mol
Monoisotopic mass: 167.05465555

Names & identifiers

Preferred name: 2-(2,3-Difluorophenyl)propanenitrile
IUPAC: 2-(2,3-difluorophenyl)propanenitrile

Names & synonyms

2-(2,3-difluorophenyl)propanenitrile945542-22-3SCHEMBL953145SCHEMBL16951668NCQUUMLRRPUAQG-UHFFFAOYSA-NAKOS006305991rac-2-(2,3-difluoro-phenyl)-propionitrileEN300-1829495

Database identifiers

PubChem CID: 55264232

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 196

Related reactions

2 records

New reaction record

HRID 254521As productuspto-grants-2011_01

HRID 254522As reactantuspto-grants-2011_01

Compound notes

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