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Home Carboxys 2-Chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid phenylmethyl ester

2-Chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid phenylmethyl ester

CAS No.:
72850-64-7
Catalog Number:
AG005E84
Molecular Formula:
C12H7ClF3NO2S
Molecular Weight:
321.7027
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$60
- +
25g
95%
In Stock USA
United States
$200
- +
100g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG005E84
Chemical Name:
2-Chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid phenylmethyl ester
CAS Number:
72850-64-7
Molecular Formula:
C12H7ClF3NO2S
Molecular Weight:
321.7027
MDL Number:
MFCD00072459
IUPAC Name:
benzyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C12H7ClF3NO2S/c13-11-17-9(12(14,15)16)8(20-11)10(18)19-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
MKQSWTQPLLCSOB-UHFFFAOYSA-N
SMILES:
Clc1nc(c(s1)C(=O)OCc1ccccc1)C(F)(F)F
EC Number:
276-942-3
UNII:
07H7L3RT69
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.984g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.698g/mol
Monoisotopic Mass:
320.984g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Influence of glutathione chemical effectors in the response of maize to arsenic exposure. Journal of plant physiology 20120501
Properties