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226085-18-3 | 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-1-[(4-methylphenyl)sulfonyl]-
CAS No: 226085-18-3 Catalog No: AG00BIT3 MDL No:MFCD10697518
Product Description
Catalog Number:
AG00BIT3
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-bromo-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
226085-18-3
Molecular Formula:
C14H11BrN2O2S
Molecular Weight:
351.2183
MDL Number:
MFCD10697518
IUPAC Name:
3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11BrN2O2S/c1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17/h2-9H,1H3
InChI Key:
NDJOLIOBEZICFO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1nccc2)Br
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:
3.5
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