Home Halogens Benzenepropanoic acid, 2,6-dichloro-b-oxo-, ethyl ester

Benzenepropanoic acid, 2,6-dichloro-b-oxo-, ethyl ester

CAS No.:
72835-87-1
Catalog Number:
AG00ICBQ
Molecular Formula:
C11H10Cl2O3
Molecular Weight:
261.1013
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Product Description
Catalog Number:
AG00ICBQ
Chemical Name:
Benzenepropanoic acid, 2,6-dichloro-b-oxo-, ethyl ester
CAS Number:
72835-87-1
Molecular Formula:
C11H10Cl2O3
Molecular Weight:
261.1013
MDL Number:
MFCD08458321
IUPAC Name:
ethyl 3-(2,6-dichlorophenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H10Cl2O3/c1-2-16-10(15)6-9(14)11-7(12)4-3-5-8(11)13/h3-5H,2,6H2,1H3
InChI Key:
GJUHMKHPXHMWQI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1c(Cl)cccc1Cl
EC Number:
924-269-7
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.001g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.098g/mol
Monoisotopic Mass:
260.001g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties