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832712-67-1 | 2-Propanol, 1-(dimethylphenylsilyl)-1,1,3,3,3-pentafluoro-, benzoate
CAS No: 832712-67-1 Catalog No: AG004YCO MDL No:
Product Description
Catalog Number:
AG004YCO
Chemical Name:
2-Propanol, 1-(dimethylphenylsilyl)-1,1,3,3,3-pentafluoro-, benzoate
CAS Number:
832712-67-1
Molecular Formula:
C18H19F5O3Si
Molecular Weight:
406.4192
IUPAC Name:
benzoic acid;1-[dimethyl(phenyl)silyl]-1,1,3,3,3-pentafluoropropan-2-ol
InChI:
InChI=1S/C11H13F5OSi.C7H6O2/c1-18(2,8-6-4-3-5-7-8)11(15,16)9(17)10(12,13)14;8-7(9)6-4-2-1-3-5-6/h3-7,9,17H,1-2H3;1-5H,(H,8,9)
InChI Key:
WSJVCBGQVUAILT-UHFFFAOYSA-N
SMILES:
OC(C([Si](c1ccccc1)(C)C)(F)F)C(F)(F)F.OC(=O)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.102g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.424g/mol
Monoisotopic Mass:
406.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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