Home Halogens Acetic acid, 2,2-dichloro-, methyl ester

Acetic acid, 2,2-dichloro-, methyl ester

CAS No.:
116-54-1
Catalog Number:
AG000BCJ
Molecular Formula:
C3H4Cl2O2
Molecular Weight:
142.9687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$33
- +
100g
95%
In Stock USA
United States
$47
- +
500g
95%
In Stock USA
United States
$75
- +
Product Description
Catalog Number:
AG000BCJ
Chemical Name:
Acetic acid, 2,2-dichloro-, methyl ester
CAS Number:
116-54-1
Molecular Formula:
C3H4Cl2O2
Molecular Weight:
142.9687
MDL Number:
MFCD00000843
IUPAC Name:
methyl 2,2-dichloroacetate
InChI:
InChI=1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
InChI Key:
HKMLRUAPIDAGIE-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cl)Cl
EC Number:
204-146-8
NSC Number:
2882
UN Number:
2299
Properties
Complexity:
71.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.959g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.963g/mol
Monoisotopic Mass:
141.959g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Identification of 2-aminothiazole-4-carboxylate derivatives active against Mycobacterium tuberculosis H37Rv and the beta-ketoacyl-ACP synthase mtFabH. PloS one 20090101
Properties