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Home > Fluorides > 125138-11-6
125138-11-6 | Phosphonic acid, P-[(pentafluorophenyl)methyl]-, diethyl ester
CAS No: 125138-11-6 Catalog No: AG000N8M MDL No:
Product Description
Catalog Number:
AG000N8M
Chemical Name:
Phosphonic acid, P-[(pentafluorophenyl)methyl]-, diethyl ester
CAS Number:
125138-11-6
Molecular Formula:
C11H12F5O3P
Molecular Weight:
318.1770
IUPAC Name:
1-(diethoxyphosphorylmethyl)-2,3,4,5,6-pentafluorobenzene
InChI:
InChI=1S/C11H12F5O3P/c1-3-18-20(17,19-4-2)5-6-7(12)9(14)11(16)10(15)8(6)13/h3-5H2,1-2H3
InChI Key:
ASIHYOBRESQMIE-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1c(F)c(F)c(c(c1F)F)F)OCC
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.18g/mol
Monoisotopic Mass:
318.044g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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