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87359-51-1

87359-51-1 | 1H-Imidazo[4,5-c]pyridine, 2-[4-methoxy-3-(methylsulfinyl)phenyl]-

CAS No: 87359-51-1 Catalog No: AG004KP8 MDL No:

Product Description

Catalog Number:
AG004KP8
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[4-methoxy-3-(methylsulfinyl)phenyl]-
CAS Number:
87359-51-1
Molecular Formula:
C14H13N3O2S
Molecular Weight:
287.3369
IUPAC Name:
2-(4-methoxy-3-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C14H13N3O2S/c1-19-12-4-3-9(7-13(12)20(2)18)14-16-10-5-6-15-8-11(10)17-14/h3-8H,1-2H3,(H,16,17)
InChI Key:
DKXDRVMKNFUAMF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)C)c1nc2c([nH]1)ccnc2

Properties

Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.073g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.337g/mol
Monoisotopic Mass:
287.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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