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Home > Fluorides > 126181-56-4
126181-56-4 | Phosphonic acid, P-(1,1-difluoro-2-phenylethyl)-, diethyl ester
CAS No: 126181-56-4 Catalog No: AG000S1E MDL No:
Product Description
Catalog Number:
AG000S1E
Chemical Name:
Phosphonic acid, P-(1,1-difluoro-2-phenylethyl)-, diethyl ester
CAS Number:
126181-56-4
Molecular Formula:
C12H17F2O3P
Molecular Weight:
278.2321
IUPAC Name:
(2-diethoxyphosphoryl-2,2-difluoroethyl)benzene
InChI:
InChI=1S/C12H17F2O3P/c1-3-16-18(15,17-4-2)12(13,14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChI Key:
DWNPQGVZZYLKPK-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(Cc1ccccc1)(F)F)OCC
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.236g/mol
Monoisotopic Mass:
278.088g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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