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Home > Fluorides > 197907-34-9
197907-34-9 | 1H-Pyrazole, 1,4-diphenyl-5-(trifluoromethyl)-
CAS No: 197907-34-9 Catalog No: AG002B6E MDL No:
Product Description
Catalog Number:
AG002B6E
Chemical Name:
1H-Pyrazole, 1,4-diphenyl-5-(trifluoromethyl)-
CAS Number:
197907-34-9
Molecular Formula:
C16H11F3N2
Molecular Weight:
288.2671
IUPAC Name:
1,4-diphenyl-5-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C16H11F3N2/c17-16(18,19)15-14(12-7-3-1-4-8-12)11-20-21(15)13-9-5-2-6-10-13/h1-11H
InChI Key:
AJMKXTIAGKPWKK-UHFFFAOYSA-N
SMILES:
FC(c1c(cnn1c1ccccc1)c1ccccc1)(F)F
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.273g/mol
Monoisotopic Mass:
288.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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