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100078-99-7 | 1,2,4-Triazolo[4,3-b]pyridazine, 3-(4-chlorophenyl)-7-phenyl-
CAS No: 100078-99-7 Catalog No: AG0000UP MDL No:
Product Description
Catalog Number:
AG0000UP
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine, 3-(4-chlorophenyl)-7-phenyl-
CAS Number:
100078-99-7
Molecular Formula:
C17H11ClN4
Molecular Weight:
306.7490
IUPAC Name:
3-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
InChI:
InChI=1S/C17H11ClN4/c18-15-8-6-13(7-9-15)17-21-20-16-10-14(11-19-22(16)17)12-4-2-1-3-5-12/h1-11H
InChI Key:
RSDZPSIUEDTNJH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nnc2n1ncc(c2)c1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.753g/mol
Monoisotopic Mass:
306.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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