Home Halogens Benzenebutanoic acid,2-chloro-b-oxo-, ethyl ester

Benzenebutanoic acid,2-chloro-b-oxo-, ethyl ester

CAS No.:
83657-82-3
Catalog Number:
AG004TLC
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
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Product Description
Catalog Number:
AG004TLC
Chemical Name:
Benzenebutanoic acid,2-chloro-b-oxo-, ethyl ester
CAS Number:
83657-82-3
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
MDL Number:
MFCD03844410
IUPAC Name:
ethyl 4-(2-chlorophenyl)-3-oxobutanoate
InChI:
InChI=1S/C12H13ClO3/c1-2-16-12(15)8-10(14)7-9-5-3-4-6-11(9)13/h3-6H,2,7-8H2,1H3
InChI Key:
ZZYFGEUHEVFLEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)Cc1ccccc1Cl
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.055g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties