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Home > Imidazoles > 121433-41-8
121433-41-8 | 1H-Imidazo[4,5-d]pyridazine, 7-(methylsulfonyl)-1-phenyl-
CAS No: 121433-41-8 Catalog No: AG0014SR MDL No:
Product Description
Catalog Number:
AG0014SR
Chemical Name:
1H-Imidazo[4,5-d]pyridazine, 7-(methylsulfonyl)-1-phenyl-
CAS Number:
121433-41-8
Molecular Formula:
C12H10N4O2S
Molecular Weight:
274.2984
IUPAC Name:
4-methylsulfonyl-3-phenylimidazo[4,5-d]pyridazine
InChI:
InChI=1S/C12H10N4O2S/c1-19(17,18)12-11-10(7-14-15-12)13-8-16(11)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
NHVIKWZLJHHXGF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1nncc2c1n(cn2)c1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.298g/mol
Monoisotopic Mass:
274.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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