Home Nitriles 2-(6-Chloropyridazin-3-yl)-2-(m-tolyl)acetonitrile

2-(6-Chloropyridazin-3-yl)-2-(m-tolyl)acetonitrile

CAS No.:
339008-33-2
Catalog Number:
AG003EYF
Molecular Formula:
C13H10ClN3
Molecular Weight:
243.6916
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Product Description
Catalog Number:
AG003EYF
Chemical Name:
2-(6-Chloropyridazin-3-yl)-2-(m-tolyl)acetonitrile
CAS Number:
339008-33-2
Molecular Formula:
C13H10ClN3
Molecular Weight:
243.6916
MDL Number:
MFCD00214778
IUPAC Name:
2-(6-chloropyridazin-3-yl)-2-(3-methylphenyl)acetonitrile
InChI:
InChI=1S/C13H10ClN3/c1-9-3-2-4-10(7-9)11(8-15)12-5-6-13(14)17-16-12/h2-7,11H,1H3
InChI Key:
CTRXOKALOFTXKD-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)C)c1ccc(nn1)Cl
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.694g/mol
Monoisotopic Mass:
243.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties