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Home > Imidazoles > 1426142-87-1
1426142-87-1 | 3-iodo-1-(4-methylbenzenesulfonyl)imidazo[1,5-a]pyridine
CAS No: 1426142-87-1 Catalog No: AG00JWJ8 MDL No:MFCD26383453
Product Description
Catalog Number:
AG00JWJ8
Chemical Name:
3-iodo-1-(4-methylbenzenesulfonyl)imidazo[1,5-a]pyridine
CAS Number:
1426142-87-1
Molecular Formula:
C14H11IN2O2S
Molecular Weight:
398.2188
MDL Number:
MFCD26383453
IUPAC Name:
3-iodo-1-(4-methylphenyl)sulfonylimidazo[1,5-a]pyridine
InChI:
InChI=1S/C14H11IN2O2S/c1-10-5-7-11(8-6-10)20(18,19)13-12-4-2-3-9-17(12)14(15)16-13/h2-9H,1H3
InChI Key:
WPUMVFMLBUPOCU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1nc(n2c1cccc2)I
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.959g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.218g/mol
Monoisotopic Mass:
397.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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