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Home Halogens Methyl 2-(2-chlorophenyl)-2-oxoacetate

Methyl 2-(2-chlorophenyl)-2-oxoacetate

CAS No.:
34966-49-9
Catalog Number:
AG00CLPE
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$257
- +
1g
97%
1 week
United States
$570
- +
Product Description
Catalog Number:
AG00CLPE
Chemical Name:
Methyl 2-(2-chlorophenyl)-2-oxoacetate
CAS Number:
34966-49-9
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
MDL Number:
MFCD18206259
IUPAC Name:
methyl 2-(2-chlorophenyl)-2-oxoacetate
InChI:
InChI=1S/C9H7ClO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5H,1H3
InChI Key:
XWVVPXXXQOJCJV-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1ccccc1Cl
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Optimization of enantioselective synthesis of methyl (R)-2-chloromandelate by whole cells of Saccharomyces cerevisiae. Biotechnology letters 20101001
Biochemical characterization of a recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius. Extremophiles : life under extreme conditions 20100301
Highly enantioselective and efficient synthesis of methyl (R)-o-chloromandelate with recombinant E. coli: toward practical and green access to clopidogrel. Organic & biomolecular chemistry 20070421
Properties