Diethyl benzylphosphonate

CAT: 0926-FD170273Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FD170273Size:250 g

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CAS Number

1080-32-6

Smiles

CCOP (=O) (CC1=CC=CC=C1) OCC

Molecular Formula

C11H17O3P

Molecular Weight

228.22 g/mol

Controlled

Chemical Information

Diethyl benzylphosphonate

CAS Number	1080-32-6
PubChem CID	14122
IUPAC Name	diethoxyphosphorylmethylbenzene
Molecular Formula	C11H17O3P
Molecular Weight	228.22
XLogP	1.7
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	202

SMILES

CCOP(=O)(CC1=CC=CC=C1)OCC

InChI

InChI=1S/C11H17O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

InChIKey

AIPRAPZUGUTQKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1080-32-6

CID: 14122

Formula: C11H17O3P

MW: 228.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.22
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	228.09153140
Monoisotopic Mass	228.09153140
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
QAA30097-01	Diethyl acetoxyethylphosphonate
FD61056-01	Diethyl Chlorothiophosphate
FD21801-01	Diethyl phthalate
FD21796-01	Diethyl ethoxymethylidenemalonate
FD12154-01	Diethyl malonate
FD03598-01	Diethyl oxalate
DAA19524	Diethyl Diallylmalonate
JBA00961-01	Diethyl methylphenylmalonate
AAA91919-01	Diethyl Acetylphosphonate
RCA19772	Diethyl bromomethylphosphonate

Catalog	Name
sc-227839	Diethyl benzylphosphonate
D21200-01	Diethyl benzylphosphonate 99%
TRC-P359432-10MG	Diethyl phosphate-d10 (diethyl-d10)
D24360-01	Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076	Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975	Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
M29411-01	Diethyl phthalate
M26667-01	Diethyl-pythiDC
M19661-01	Diethyl oxalpropionate
A9972-500	Diethyl phosphate