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72307-46-1 | Ethanone,1-(4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)-2,2,2-trifluoro-
CAS No: 72307-46-1 Catalog No: AG005I9A MDL No:
Product Description
Catalog Number:
AG005I9A
Chemical Name:
Ethanone,1-(4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)-2,2,2-trifluoro-
CAS Number:
72307-46-1
Molecular Formula:
C19H11F3N4O
Molecular Weight:
368.3120
IUPAC Name:
1-(4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-yl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C19H11F3N4O/c20-19(21,22)17(27)15-16(13-9-5-2-6-10-13)26-18(25-24-15)14(11-23-26)12-7-3-1-4-8-12/h1-11H
InChI Key:
WXIILKDTZHPBPE-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1nnc2n(c1c1ccccc1)ncc2c1ccccc1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.319g/mol
Monoisotopic Mass:
368.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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