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127218-03-5 | Diethyl 2,4-difluorobenzylphosphonate
CAS No: 127218-03-5 Catalog No: AG01FD06 MDL No:
Product Description
Catalog Number:
AG01FD06
Chemical Name:
Diethyl 2,4-difluorobenzylphosphonate
CAS Number:
127218-03-5
Molecular Formula:
C11H15F2O3P
Molecular Weight:
264.2056
IUPAC Name:
1-(diethoxyphosphorylmethyl)-2,4-difluorobenzene
InChI:
InChI=1S/C11H15F2O3P/c1-3-15-17(14,16-4-2)8-9-5-6-10(12)7-11(9)13/h5-7H,3-4,8H2,1-2H3
InChI Key:
QSHVKNKZXZBTBZ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccc(cc1F)F)OCC
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.209g/mol
Monoisotopic Mass:
264.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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