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87359-43-1 | 1H-Imidazo[4,5-c]pyridine, 2-[2-methoxy-4-(methylsulfonyl)phenyl]-
CAS No: 87359-43-1 Catalog No: AG008E5D MDL No:
Product Description
Catalog Number:
AG008E5D
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[2-methoxy-4-(methylsulfonyl)phenyl]-
CAS Number:
87359-43-1
Molecular Formula:
C14H13N3O3S
Molecular Weight:
303.3363
IUPAC Name:
2-(2-methoxy-4-methylsulfonylphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C14H13N3O3S/c1-20-13-7-9(21(2,18)19)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)
InChI Key:
VIHILSCRDWMDRB-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1nc2c([nH]1)ccnc2)S(=O)(=O)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.336g/mol
Monoisotopic Mass:
303.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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