2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile

HCID 347294

Notes Reactions

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Basic information

CAS: 56577-68-5
Standard SMILES: N#CC(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIKey: ITIBRNGRTMJAEN-UHFFFAOYSA-N
Molecular formula: C14H9ClN2O2
Average molar mass: 272.68 g/mol
Monoisotopic mass: 272.0352552

Names & identifiers

Preferred name: 2-(4-Chlorophenyl)-2-(4-nitrophenyl)acetonitrile
IUPAC: 2-(4-chlorophenyl)-2-(4-nitrophenyl)acetonitrile

Names & synonyms

2-(4-chlorophenyl)-2-(4-nitrophenyl)acetonitrile56577-68-5NSC405899SCHEMBL17025529DTXSID80324155ITIBRNGRTMJAEN-UHFFFAOYSA-NNSC-405899(4-Chlorophenyl)(4-nitrophenyl)acetonitrile

Database identifiers

CAS: 56577-68-5
PubChem CID: 347294
DTXSID: DTXSID80324155
Nikkaji: J1.821.332J

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 69.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 357

Related reactions

2 records

New reaction record

HRID 1778278As productuspto-grants-2016_02

HRID 1778279As reactantuspto-grants-2016_02

Compound notes

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