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1014613-05-8 | 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-2-methyl-1-(phenylsulfonyl)-
CAS No: 1014613-05-8 Catalog No: AG0004IP MDL No:MFCD13191645
Product Description
Catalog Number:
AG0004IP
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-2-methyl-1-(phenylsulfonyl)-
CAS Number:
1014613-05-8
Molecular Formula:
C14H11BrN2O2S
Molecular Weight:
351.2183
MDL Number:
MFCD13191645
IUPAC Name:
1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H11BrN2O2S/c1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
XYWYPNRYJVGINH-UHFFFAOYSA-N
SMILES:
Brc1ccnc2c1cc(n2S(=O)(=O)c1ccccc1)C
Properties
Complexity:
445
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:
3.6
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