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Home > Pyridines > 858117-29-0
858117-29-0 | 1H-Pyrrolo[2,3-b]pyridine, 5-[4-(methylsulfonyl)phenyl]-
CAS No: 858117-29-0 Catalog No: AG004RCC MDL No:
Product Description
Catalog Number:
AG004RCC
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-[4-(methylsulfonyl)phenyl]-
CAS Number:
858117-29-0
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H12N2O2S/c1-19(17,18)13-4-2-10(3-5-13)12-8-11-6-7-15-14(11)16-9-12/h2-9H,1H3,(H,15,16)
InChI Key:
GYSFKGNJXBOFIP-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc(cc1)c1cnc2c(c1)cc[nH]2
Properties
Complexity:
410
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:
1
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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