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148807-14-1 | 1H-Pyrazole, 1,1'-(2,3,5,6-tetrafluoro-1,4-phenylene)bis[3,5-dimethyl-
CAS No: 148807-14-1 Catalog No: AG001L80 MDL No:
Product Description
Catalog Number:
AG001L80
Chemical Name:
1H-Pyrazole, 1,1'-(2,3,5,6-tetrafluoro-1,4-phenylene)bis[3,5-dimethyl-
CAS Number:
148807-14-1
Molecular Formula:
C16H14F4N4
Molecular Weight:
338.3028
IUPAC Name:
1-[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]-3,5-dimethylpyrazole
InChI:
InChI=1S/C16H14F4N4/c1-7-5-9(3)23(21-7)15-11(17)13(19)16(14(20)12(15)18)24-10(4)6-8(2)22-24/h5-6H,1-4H3
InChI Key:
PZVSRIGWARPCSY-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(c(c(c1n1nc(cc1C)C)F)F)n1nc(cc1C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.31g/mol
Monoisotopic Mass:
338.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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