Diethyl(1-cyano-2-phenylethyl)phosphonate

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Basic information

CAS: 34491-79-7
Standard SMILES: CCOP(=O)(OCC)C(C#N)Cc1ccccc1
InChIKey: YJFAVIJLCJSTDK-UHFFFAOYSA-N
Molecular formula: C13H18NO3P
Average molar mass: 267.26 g/mol
Monoisotopic mass: 267.10243043

Names & identifiers

Preferred name: Diethyl(1-cyano-2-phenylethyl)phosphonate
IUPAC: 2-diethoxyphosphoryl-3-phenylpropanenitrile

Names & synonyms

diethyl(1-cyano-2-phenylethyl)phosphonate34491-79-7DTXSID10299943RefChem:338065DTXCID80251078diethyl (1-cyano-2-phenylethyl)phosphonateNSC133821SCHEMBL1241061YJFAVIJLCJSTDK-UHFFFAOYSA-NNSC-133821

Database identifiers

CAS: 34491-79-7
PubChem CID: 281202
DTXSID: DTXSID10299943

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 59.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 320

Related reactions

2 records

New reaction record

HRID 1360662As reactantuspto-grants-2011_02

HRID 1724715As reactantuspto-grants-2009_02

Compound notes

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