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Home > Imidazoles > 89075-41-2
89075-41-2 | 1H-Imidazo[4,5-c]pyridine, 2-[4-(methylsulfonyl)phenyl]-
CAS No: 89075-41-2 Catalog No: AG0040A5 MDL No:
Product Description
Catalog Number:
AG0040A5
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[4-(methylsulfonyl)phenyl]-
CAS Number:
89075-41-2
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
IUPAC Name:
2-(4-methylsulfonylphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C13H11N3O2S/c1-19(17,18)10-4-2-9(3-5-10)13-15-11-6-7-14-8-12(11)16-13/h2-8H,1H3,(H,15,16)
InChI Key:
WCMHDHSTWVVPIH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc(cc1)c1nc2c([nH]1)ccnc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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