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Home > Imidazoles > 87359-36-2
87359-36-2 | 1H-Imidazo[4,5-c]pyridine, 2-[2,4-dimethoxy-3-(methylsulfinyl)phenyl]-
CAS No: 87359-36-2 Catalog No: AG008E5F MDL No:
Product Description
Catalog Number:
AG008E5F
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-[2,4-dimethoxy-3-(methylsulfinyl)phenyl]-
CAS Number:
87359-36-2
Molecular Formula:
C15H15N3O3S
Molecular Weight:
317.3629
IUPAC Name:
2-(2,4-dimethoxy-3-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C15H15N3O3S/c1-20-12-5-4-9(13(21-2)14(12)22(3)19)15-17-10-6-7-16-8-11(10)18-15/h4-8H,1-3H3,(H,17,18)
InChI Key:
AUIBBKBLMNAVRV-UHFFFAOYSA-N
SMILES:
COc1c(S(=O)C)c(OC)ccc1c1nc2c([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:
317.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.363g/mol
Monoisotopic Mass:
317.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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