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Home > Pyridines > 1001070-50-3
1001070-50-3 | 1H-Pyrrolo[2,3-b]pyridine, 5-methyl-1-(phenylsulfonyl)-
CAS No: 1001070-50-3 Catalog No: AG0000Z3 MDL No:
Product Description
Catalog Number:
AG0000Z3
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-methyl-1-(phenylsulfonyl)-
CAS Number:
1001070-50-3
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H12N2O2S/c1-11-9-12-7-8-16(14(12)15-10-11)19(17,18)13-5-3-2-4-6-13/h2-10H,1H3
InChI Key:
BYOCVLCQUZBHNT-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)ccn2S(=O)(=O)c1ccccc1
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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