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Home Halogens 3-Pyridinecarbonitrile,5-chloro-1,2-dihydro-4,6-dimethyl-2-oxo-

3-Pyridinecarbonitrile,5-chloro-1,2-dihydro-4,6-dimethyl-2-oxo-

CAS No.:
23819-92-3
Catalog Number:
AG007N1R
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
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Product Description
Catalog Number:
AG007N1R
Chemical Name:
3-Pyridinecarbonitrile,5-chloro-1,2-dihydro-4,6-dimethyl-2-oxo-
CAS Number:
23819-92-3
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
MDL Number:
MFCD00052652
IUPAC Name:
5-chloro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H7ClN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
InChI Key:
CEIUMKPKEXHJEN-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)nc(c(c1C)Cl)C
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.607g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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