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87579-47-3 | Phosphonic acid, [1,1-bis(trifluoromethyl)propyl]-, dimethyl ester
CAS No: 87579-47-3 Catalog No: AG004MC2 MDL No:
Product Description
Catalog Number:
AG004MC2
Chemical Name:
Phosphonic acid, [1,1-bis(trifluoromethyl)propyl]-, dimethyl ester
CAS Number:
87579-47-3
Molecular Formula:
C7H11F6O3P
Molecular Weight:
288.1246
IUPAC Name:
2-dimethoxyphosphoryl-1,1,1-trifluoro-2-(trifluoromethyl)butane
InChI:
InChI=1S/C7H11F6O3P/c1-4-5(6(8,9)10,7(11,12)13)17(14,15-2)16-3/h4H2,1-3H3
InChI Key:
JBVZEWLTAZLAOL-UHFFFAOYSA-N
SMILES:
CCC(P(=O)(OC)OC)(C(F)(F)F)C(F)(F)F
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.126g/mol
Monoisotopic Mass:
288.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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