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Home > Bromides > 1198416-32-8
1198416-32-8 | 1H-Pyrrolo[2,3-b]pyridine, 2-broMo-1-[(4-Methylphenyl)sulfonyl]-
CAS No: 1198416-32-8 Catalog No: AG000PQX MDL No:MFCD15529388
Product Description
Catalog Number:
AG000PQX
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-broMo-1-[(4-Methylphenyl)sulfonyl]-
CAS Number:
1198416-32-8
Molecular Formula:
C14H11BrN2O2S
Molecular Weight:
351.2183
MDL Number:
MFCD15529388
IUPAC Name:
2-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11BrN2O2S/c1-10-4-6-12(7-5-10)20(18,19)17-13(15)9-11-3-2-8-16-14(11)17/h2-9H,1H3
InChI Key:
MDLNSMRCPJEEFR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1c(Br)cc2c1nccc2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.972g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.218g/mol
Monoisotopic Mass:
349.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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