Home Halogens Acetic acid, (4-chloro-2-cyanophenoxy)-, ethyl ester

Acetic acid, (4-chloro-2-cyanophenoxy)-, ethyl ester

CAS No.:
401631-70-7
Catalog Number:
AG00I7VS
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
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Product Description
Catalog Number:
AG00I7VS
Chemical Name:
Acetic acid, (4-chloro-2-cyanophenoxy)-, ethyl ester
CAS Number:
401631-70-7
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
MDL Number:
MFCD00454336
IUPAC Name:
ethyl 2-(4-chloro-2-cyanophenoxy)acetate
InChI:
InChI=1S/C11H10ClNO3/c1-2-15-11(14)7-16-10-4-3-9(12)5-8(10)6-13/h3-5H,2,7H2,1H3
InChI Key:
NIQJRKMUBUSDIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(cc1C#N)Cl
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.655g/mol
Monoisotopic Mass:
239.035g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties