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63909-57-9 | Diethyl 3-fluorobenzylphosphonate
CAS No: 63909-57-9 Catalog No: AG01FEIU MDL No:MFCD20131020
Product Description
Catalog Number:
AG01FEIU
Chemical Name:
Diethyl 3-fluorobenzylphosphonate
CAS Number:
63909-57-9
Molecular Formula:
C11H16FO3P
Molecular Weight:
246.2151
MDL Number:
MFCD20131020
IUPAC Name:
1-(diethoxyphosphorylmethyl)-3-fluorobenzene
InChI:
InChI=1S/C11H16FO3P/c1-3-14-16(13,15-4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChI Key:
JYFYRNCOOXHPGY-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1cccc(c1)F)OCC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.218g/mol
Monoisotopic Mass:
246.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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