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1228666-07-6 | 3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CAS No: 1228666-07-6 Catalog No: AG00HH3M MDL No:MFCD16628243
Product Description
Catalog Number:
AG00HH3M
Chemical Name:
3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CAS Number:
1228666-07-6
Molecular Formula:
C14H11IN2O2S
Molecular Weight:
398.2188
MDL Number:
MFCD16628243
IUPAC Name:
1-(benzenesulfonyl)-3-iodo-5-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11IN2O2S/c1-10-7-12-13(15)9-17(14(12)16-8-10)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
FFIDQLBOGUNEHY-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1
Properties
Complexity:
445
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:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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