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99578-68-4 | Diethyl 4-(trifluoromethyl)benzylphosphonate
CAS No: 99578-68-4 Catalog No: AG01FAT1 MDL No:
Product Description
Catalog Number:
AG01FAT1
Chemical Name:
Diethyl 4-(trifluoromethyl)benzylphosphonate
CAS Number:
99578-68-4
Molecular Formula:
C12H16F3O3P
Molecular Weight:
296.2226
IUPAC Name:
1-(diethoxyphosphorylmethyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C12H16F3O3P/c1-3-17-19(16,18-4-2)9-10-5-7-11(8-6-10)12(13,14)15/h5-8H,3-4,9H2,1-2H3
InChI Key:
NTQKMIQYHZLRSW-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccc(cc1)C(F)(F)F)OCC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.226g/mol
Monoisotopic Mass:
296.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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