Home Halogens ethyl 2-(3-chloropyridin-2-yl)-2-cyano-2-methylacetate

ethyl 2-(3-chloropyridin-2-yl)-2-cyano-2-methylacetate

CAS No.:
1565050-85-2
Catalog Number:
AG01C2T1
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
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Product Description
Catalog Number:
AG01C2T1
Chemical Name:
ethyl 2-(3-chloropyridin-2-yl)-2-cyano-2-methylacetate
CAS Number:
1565050-85-2
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
MDL Number:
MFCD26912800
IUPAC Name:
ethyl 2-(3-chloropyridin-2-yl)-2-cyanopropanoate
InChI:
InChI=1S/C11H11ClN2O2/c1-3-16-10(15)11(2,7-13)9-8(12)5-4-6-14-9/h4-6H,3H2,1-2H3
InChI Key:
OKZSKNNTHDOGPE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ncccc1Cl)(C#N)C
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.671g/mol
Monoisotopic Mass:
238.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties