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Home > Fluorides > 129585-50-8
129585-50-8 | 1H-Pyrazole, 3-methyl-1-phenyl-5-(trifluoromethyl)-
CAS No: 129585-50-8 Catalog No: AG000Z8N MDL No:
Product Description
Catalog Number:
AG000Z8N
Chemical Name:
1H-Pyrazole, 3-methyl-1-phenyl-5-(trifluoromethyl)-
CAS Number:
129585-50-8
Molecular Formula:
C11H9F3N2
Molecular Weight:
226.1978
IUPAC Name:
3-methyl-1-phenyl-5-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C11H9F3N2/c1-8-7-10(11(12,13)14)16(15-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
PFGFMKWTUOABSR-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C(F)(F)F)c1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.202g/mol
Monoisotopic Mass:
226.072g/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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