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Home > Fluorides > 821774-48-5
821774-48-5 | 1H-Pyrazolo[3,4-b]pyridine, 3,4-diphenyl-6-(trifluoromethyl)-
CAS No: 821774-48-5 Catalog No: AG0051FY MDL No:
Product Description
Catalog Number:
AG0051FY
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 3,4-diphenyl-6-(trifluoromethyl)-
CAS Number:
821774-48-5
Molecular Formula:
C19H12F3N3
Molecular Weight:
339.3139
IUPAC Name:
3,4-diphenyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C19H12F3N3/c20-19(21,22)15-11-14(12-7-3-1-4-8-12)16-17(24-25-18(16)23-15)13-9-5-2-6-10-13/h1-11H,(H,23,24,25)
InChI Key:
MPOFPAFDHMXZNG-UHFFFAOYSA-N
SMILES:
FC(c1nc2[nH]nc(c2c(c1)c1ccccc1)c1ccccc1)(F)F
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.321g/mol
Monoisotopic Mass:
339.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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