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Home > Fluorides > 125138-12-7
125138-12-7 | Phosphonic acid, [[3,5-bis(trifluoromethyl)phenyl]methyl]-, diethyl ester (9CI)
CAS No: 125138-12-7 Catalog No: AG000N8L MDL No:
Product Description
Catalog Number:
AG000N8L
Chemical Name:
Phosphonic acid, [[3,5-bis(trifluoromethyl)phenyl]methyl]-, diethyl ester (9CI)
CAS Number:
125138-12-7
Molecular Formula:
C13H15F6O3P
Molecular Weight:
364.2206
IUPAC Name:
1-(diethoxyphosphorylmethyl)-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C13H15F6O3P/c1-3-21-23(20,22-4-2)8-9-5-10(12(14,15)16)7-11(6-9)13(17,18)19/h5-7H,3-4,8H2,1-2H3
InChI Key:
YAVRWCHSQKIQDR-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)OCC
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.066g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.224g/mol
Monoisotopic Mass:
364.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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