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Home > Pyridines > 1227270-73-6
1227270-73-6 | 1H-Pyrrolo[2,3-b]pyridine, 4-methyl-1-(phenylsulfonyl)-
CAS No: 1227270-73-6 Catalog No: AG000J78 MDL No:
Product Description
Catalog Number:
AG000J78
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-methyl-1-(phenylsulfonyl)-
CAS Number:
1227270-73-6
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
1-(benzenesulfonyl)-4-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H12N2O2S/c1-11-7-9-15-14-13(11)8-10-16(14)19(17,18)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
IVMGQUXEEFPDCQ-UHFFFAOYSA-N
SMILES:
Cc1ccnc2c1ccn2S(=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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