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1-(2-Chloroethoxy)-2-diethoxyphosphoryl-ethane

CAT: 0572-TRC-C622010-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C622010-1GSize:1 g
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CAS Number
69404-49-5
Hazard Statement
No Data Available
Smiles
CCOP(=O)(CCOCCCl)OCC
Molecular Formula
C8H18ClO4P
Molecular Weight
244.65
Shipping Conditions
Room Temperature

Chemical Information

1-(2-Chloroethoxy)-2-diethoxyphosphoryl-ethane
CAS Number69404-49-5
PubChem CID12471816
IUPAC Name1-(2-chloroethoxy)-2-diethoxyphosphorylethane
Molecular FormulaC8H18ClO4P
Molecular Weight244.65
XLogP0.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity167
SMILES
CCOP(=O)(CCOCCCl)OCC
InChI
InChI=1S/C8H18ClO4P/c1-3-12-14(10,13-4-2)8-7-11-6-5-9/h3-8H2,1-2H3
InChIKey
HFCHXQVVXAUFCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Chloroethoxy)-2-diethoxyphosphoryl-ethane
CAS: 69404-49-5
CID: 12471816
Formula: C8H18ClO4P
MW: 244.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.65
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass244.0631237
Monoisotopic Mass244.0631237
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity167
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

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