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1332605-39-6 | 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-1-[(4-methylphenyl)sulfonyl]-
CAS No: 1332605-39-6 Catalog No: AG0014I3 MDL No:
Product Description
Catalog Number:
AG0014I3
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
1332605-39-6
Molecular Formula:
C14H11ClN2O2S
Molecular Weight:
306.7673
IUPAC Name:
6-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11ClN2O2S/c1-10-2-5-12(6-3-10)20(18,19)17-9-8-11-4-7-13(15)16-14(11)17/h2-9H,1H3
InChI Key:
GPVHVKNIMBHRMH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nc(Cl)cc2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.764g/mol
Monoisotopic Mass:
306.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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