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250642-57-0 | Benzeneacetic acid, 4-chloro-3-methyl-α-oxo-, ethyl ester
CAS No: 250642-57-0 Catalog No: AG002QBZ MDL No:
Product Description
Catalog Number:
AG002QBZ
Chemical Name:
Benzeneacetic acid, 4-chloro-3-methyl-α-oxo-, ethyl ester
CAS Number:
250642-57-0
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
ethyl 2-(4-chloro-3-methylphenyl)-2-oxoacetate
InChI:
InChI=1S/C11H11ClO3/c1-3-15-11(14)10(13)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3
InChI Key:
ZQRICMRDLKNJBT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1ccc(c(c1)C)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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