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Diethyl 2-phenylethyl phosphonate

CAT: 0024-sc-234644Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-234644Size:10 g
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CAS Number
54553-21-8

Chemical Information

Diethyl 2-phenylethyl phosphonate
CAS Number54553-21-8
PubChem CID3448525
IUPAC Name2-diethoxyphosphorylethylbenzene
Molecular FormulaC12H19O3P
Molecular Weight242.25
XLogP2.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity214
SMILES
CCOP(=O)(CCC1=CC=CC=C1)OCC
InChI
InChI=1S/C12H19O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
WEXGRJPJMNUCMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl 2-phenylethyl phosphonate
CAS: 54553-21-8
CID: 3448525
Formula: C12H19O3P
MW: 242.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.25
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass242.10718146
Monoisotopic Mass242.10718146
Topological Polar Surface Area35.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-227828Diethyl 1-phenylethyl phosphonate
sc-234629Diethyl (2-oxo-2-phenylethyl) phosphonate
sc-234628Diethyl (2-methylallyl) phosphonate
sc-227823Diethyl (2-cyanoethyl) phosphonate
sc-234630ADiethyl (2-oxopropyl) phosphonate
sc-227824Diethyl (2-oxobutyl)phosphonate
sc-485987Diethyl (2-Methylbenzyl) phosphonate
sc-234630Diethyl (2-oxopropyl) phosphonate
sc-234632Diethyl (ethylthiomethyl) phosphonate
sc-294317Diethyl (Methoxymethyl) phosphonate

Alternative Products

CatalogName
OR10725-01Diethyl (2-oxo-2-phenylethyl) phosphonate
PBA99740-01Diethyl (2-hydroxyethyl) phosphonate
OR91390-01Diethyl (2-bromobenzyl) phosphonate
OR10697Diethyl (2-chloroethyl) phosphonate
OR10727Diethyl (2-oxopropyl) phosphonate
BAA08041-01Diethyl (2-oxocyclohexyl) phosphonate
OR10738Diethyl (2-trimethylsiloxycarbonyl) phosphonate
OR10719-01Diethyl (2-methylbenzyl) phosphonate
TRC-D478555-1GDiethyl (2-cyanoethyl)phosphonate
D444135Diethyl (2-hydroxyethyl)phosphonate

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