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1445993-87-2 | 7H-Pyrrolo[2,3-c]pyridin-7-one, 4-bromo-1,6-dihydro-6-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 1445993-87-2 Catalog No: AG001JTC MDL No:
Product Description
Catalog Number:
AG001JTC
Chemical Name:
7H-Pyrrolo[2,3-c]pyridin-7-one, 4-bromo-1,6-dihydro-6-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
1445993-87-2
Molecular Formula:
C15H13BrN2O3S
Molecular Weight:
381.2443
IUPAC Name:
4-bromo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
InChI:
InChI=1S/C15H13BrN2O3S/c1-10-3-5-11(6-4-10)22(20,21)18-8-7-12-13(16)9-17(2)15(19)14(12)18/h3-9H,1-2H3
InChI Key:
PZEBKVLFDUMYSY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1c(=O)n(C)cc2Br
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.983g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.244g/mol
Monoisotopic Mass:
379.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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