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Home > Bromides > 139585-70-9

139585-70-9

139585-70-9 | 3-Pyridinecarbonitrile, 6-bromo-

CAS No: 139585-70-9 Catalog No: AG001BBB MDL No:MFCD00234141

Product Description

Catalog Number:
AG001BBB
Chemical Name:
3-Pyridinecarbonitrile, 6-bromo-
CAS Number:
139585-70-9
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
MDL Number:
MFCD00234141
IUPAC Name:
6-bromopyridine-3-carbonitrile
InChI:
InChI=1S/C6H3BrN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H
InChI Key:
XHYGUDGTUJPSNX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)Br

Properties

Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.948g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.008g/mol
Monoisotopic Mass:
181.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Synthesis and antiprotozoal activity of 2,5-bis[amidinoaryl]thiazoles. Bioorganic & medicinal chemistry 20100515

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