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88489-99-0 | 1,2,4-Triazolo[4,3-b]pyridazine, 3-bromo-6-(4-methylphenyl)-
CAS No: 88489-99-0 Catalog No: AG0049QU MDL No:
Product Description
Catalog Number:
AG0049QU
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine, 3-bromo-6-(4-methylphenyl)-
CAS Number:
88489-99-0
Molecular Formula:
C12H9BrN4
Molecular Weight:
289.1307
IUPAC Name:
3-bromo-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
InChI:
InChI=1S/C12H9BrN4/c1-8-2-4-9(5-3-8)10-6-7-11-14-15-12(13)17(11)16-10/h2-7H,1H3
InChI Key:
IXENSJHJYLAODF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc2n(n1)c(Br)nn2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.001g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.136g/mol
Monoisotopic Mass:
288.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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