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3167-63-3 | Diethyl (chloromethyl);phosphonate
CAS No: 3167-63-3 Catalog No: AG003PEW MDL No:MFCD00010189
Product Description
Catalog Number:
AG003PEW
Chemical Name:
Diethyl (chloromethyl);phosphonate
CAS Number:
3167-63-3
Molecular Formula:
C5H12ClO3P
Molecular Weight:
186.5737
MDL Number:
MFCD00010189
IUPAC Name:
1-[chloromethyl(ethoxy)phosphoryl]oxyethane
InChI:
InChI=1S/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3
InChI Key:
MZBIWKMCTWJLPT-UHFFFAOYSA-N
SMILES:
ClCP(=O)(OCC)OCC
EC Number:
221-632-5
NSC Number:
67753
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.021g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.572g/mol
Monoisotopic Mass:
186.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Highly selective synthesis of (E)-alkenyl-(pentafluorosulfanyl)benzenes through Horner-Wadsworth-Emmons reaction. | Beilstein journal of organic chemistry 20120101 |
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