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880769-95-9

880769-95-9 | 3-Bromo-1-(phenylsulfonyl);-1H-pyrrolo[2,3-b]pyridine

CAS No: 880769-95-9 Catalog No: AG004HPH MDL No:MFCD09839041

Product Description

Catalog Number:
AG004HPH
Chemical Name:
3-Bromo-1-(phenylsulfonyl);-1H-pyrrolo[2,3-b]pyridine
CAS Number:
880769-95-9
Molecular Formula:
C13H9BrN2O2S
Molecular Weight:
337.1918
MDL Number:
MFCD09839041
IUPAC Name:
1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H9BrN2O2S/c14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10/h1-9H
InChI Key:
TZTSMNAZKFSLIC-UHFFFAOYSA-N
SMILES:
Brc1cn(c2c1cccn2)S(=O)(=O)c1ccccc1

Properties

Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.957g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.191g/mol
Monoisotopic Mass:
335.957g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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