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88490-02-2 | 1,2,4-Triazolo[4,3-b]pyridazin-3-amine, 6-(4-chlorophenyl)-
CAS No: 88490-02-2 Catalog No: AG0049B2 MDL No:
Product Description
Catalog Number:
AG0049B2
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazin-3-amine, 6-(4-chlorophenyl)-
CAS Number:
88490-02-2
Molecular Formula:
C11H8ClN5
Molecular Weight:
245.6677
IUPAC Name:
6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
InChI:
InChI=1S/C11H8ClN5/c12-8-3-1-7(2-4-8)9-5-6-10-14-15-11(13)17(10)16-9/h1-6H,(H2,13,15)
InChI Key:
MUGLQISJZOPOTI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ccc2n(n1)c(N)nn2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.67g/mol
Monoisotopic Mass:
245.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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