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Home > Pyridines > 1227269-12-6
1227269-12-6 | 1H-Pyrrolo[3,2-b]pyridine, 2-methyl-1-(phenylsulfonyl)-
CAS No: 1227269-12-6 Catalog No: AG000J5C MDL No:MFCD16875863
Product Description
Catalog Number:
AG000J5C
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 2-methyl-1-(phenylsulfonyl)-
CAS Number:
1227269-12-6
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
MDL Number:
MFCD16875863
IUPAC Name:
1-(benzenesulfonyl)-2-methylpyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C14H12N2O2S/c1-11-10-13-14(8-5-9-15-13)16(11)19(17,18)12-6-3-2-4-7-12/h2-10H,1H3
InChI Key:
YCNNICFKKIDMRH-UHFFFAOYSA-N
SMILES:
Cc1cc2c(n1S(=O)(=O)c1ccccc1)cccn2
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:
2.6
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