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Home > Fluorides > 231301-26-1
231301-26-1 | 1H-Pyrazole, 1-benzoyl-3(or 5)-(tridecafluorohexyl)-5(or 3)-(trifluoromethyl)- (9CI)
CAS No: 231301-26-1 Catalog No: AG002MAA MDL No:MFCD01075249
Product Description
Catalog Number:
AG002MAA
Chemical Name:
1H-Pyrazole, 1-benzoyl-3(or 5)-(tridecafluorohexyl)-5(or 3)-(trifluoromethyl)- (9CI)
CAS Number:
231301-26-1
MDL Number:
MFCD01075249
IUPAC Name:
phenyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazol-1-yl]methanone
InChI:
InChI=1S/C17H6F16N2O/c18-11(19,13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)33)8-6-9(12(20,21)22)35(34-8)10(36)7-4-2-1-3-5-7/h1-6H
InChI Key:
MTOQTIXWJHGJIQ-UHFFFAOYSA-N
Properties
Complexity:
815
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.022g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.222g/mol
Monoisotopic Mass:
558.022g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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