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77918-46-8 | Phosphonic acid,[4-(trifluoromethyl)phenyl]-, diethyl ester (9CI)
CAS No: 77918-46-8 Catalog No: AG005EHP MDL No:MFCD03844387
Product Description
Catalog Number:
AG005EHP
Chemical Name:
Phosphonic acid,[4-(trifluoromethyl)phenyl]-, diethyl ester (9CI)
CAS Number:
77918-46-8
Molecular Formula:
C11H14F3O3P
Molecular Weight:
282.1960
MDL Number:
MFCD03844387
IUPAC Name:
1-diethoxyphosphoryl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C11H14F3O3P/c1-3-16-18(15,17-4-2)10-7-5-9(6-8-10)11(12,13)14/h5-8H,3-4H2,1-2H3
InChI Key:
MIYZNERMTGBMNK-UHFFFAOYSA-N
SMILES:
CCOP(=O)(c1ccc(cc1)C(F)(F)F)OCC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.199g/mol
Monoisotopic Mass:
282.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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