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19005-60-8 | 1H-Pyrazole, 3,5-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)-
CAS No: 19005-60-8 Catalog No: AG002EAA MDL No:
Product Description
Catalog Number:
AG002EAA
Chemical Name:
1H-Pyrazole, 3,5-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)-
CAS Number:
19005-60-8
Molecular Formula:
C11H7F5N2
Molecular Weight:
262.1787
IUPAC Name:
3,5-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazole
InChI:
InChI=1S/C11H7F5N2/c1-4-3-5(2)18(17-4)11-9(15)7(13)6(12)8(14)10(11)16/h3H,1-2H3
InChI Key:
PWPULACVDVZWIT-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.183g/mol
Monoisotopic Mass:
262.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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