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156073-03-9

156073-03-9 | 2-Pyridinecarbonitrile, 5-bromo-3-[2-(3-chlorophenyl)ethyl]-

CAS No: 156073-03-9 Catalog No: AG001OHK MDL No:

Product Description

Catalog Number:
AG001OHK
Chemical Name:
2-Pyridinecarbonitrile, 5-bromo-3-[2-(3-chlorophenyl)ethyl]-
CAS Number:
156073-03-9
Molecular Formula:
C14H10BrClN2
Molecular Weight:
321.5996
IUPAC Name:
5-bromo-3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile
InChI:
InChI=1S/C14H10BrClN2/c15-12-7-11(14(8-17)18-9-12)5-4-10-2-1-3-13(16)6-10/h1-3,6-7,9H,4-5H2
InChI Key:
CGJTYEWHOUWBSM-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cc1CCc1cccc(c1)Cl)Br

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.972g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.602g/mol
Monoisotopic Mass:
319.972g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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