Home Halogens Benzeneacetic acid, 2-chloro-a-cyano-, ethyl ester

Benzeneacetic acid, 2-chloro-a-cyano-, ethyl ester

CAS No.:
4383-51-1
Catalog Number:
AG00I8CV
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
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Product Description
Catalog Number:
AG00I8CV
Chemical Name:
Benzeneacetic acid, 2-chloro-a-cyano-, ethyl ester
CAS Number:
4383-51-1
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
MDL Number:
MFCD03412562
IUPAC Name:
ethyl 2-(2-chlorophenyl)-2-cyanoacetate
InChI:
InChI=1S/C11H10ClNO2/c1-2-15-11(14)9(7-13)8-5-3-4-6-10(8)12/h3-6,9H,2H2,1H3
InChI Key:
RASKCCDHQWXWHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1Cl)C#N
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.656g/mol
Monoisotopic Mass:
223.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties