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Home > Pyridines > 1423029-05-3
1423029-05-3 | 2-{6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}benzoic acid
CAS No: 1423029-05-3 Catalog No: AG01A1QK MDL No:MFCD17593704
Product Description
Catalog Number:
AG01A1QK
Chemical Name:
2-{6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}benzoic acid
CAS Number:
1423029-05-3
Molecular Formula:
C13H10N4O2
Molecular Weight:
254.2441
MDL Number:
MFCD17593704
IUPAC Name:
2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzoic acid
InChI:
InChI=1S/C13H10N4O2/c1-8-6-7-11-14-15-12(17(11)16-8)9-4-2-3-5-10(9)13(18)19/h2-7H,1H3,(H,18,19)
InChI Key:
QGYUXXOSMKAFKY-UHFFFAOYSA-N
SMILES:
Cc1ccc2n(n1)c(nn2)c1ccccc1C(=O)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.249g/mol
Monoisotopic Mass:
254.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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