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Home > Pyridines > 189089-83-6
189089-83-6 | 1H-Pyrrolo[2,3-b]pyridine, 2-methyl-1-(phenylsulfonyl)-
CAS No: 189089-83-6 Catalog No: AG002HUM MDL No:MFCD04153753
Product Description
Catalog Number:
AG002HUM
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-methyl-1-(phenylsulfonyl)-
CAS Number:
189089-83-6
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
MDL Number:
MFCD04153753
IUPAC Name:
1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H12N2O2S/c1-11-10-12-6-5-9-15-14(12)16(11)19(17,18)13-7-3-2-4-8-13/h2-10H,1H3
InChI Key:
AHBQPALYDSJJKZ-UHFFFAOYSA-N
SMILES:
Cc1cc2c(n1S(=O)(=O)c1ccccc1)nccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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