Home Carboxes 101987-86-4
101987-86-4,MFCD09037898
Catalog No.:AA000634
101987-86-4 | Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$208.00   $145.00
- +
5g
95%
in stock  
$610.00   $427.00
- +
10g
95%
in stock  
$1,020.00   $714.00
- +
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Technical Information
Catalog Number:
AA000634
Chemical Name:
Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate
CAS Number:
101987-86-4
Molecular Formula:
C11H8ClF3O3
Molecular Weight:
280.6276
MDL Number:
MFCD09037898
IUPAC Name:
ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H8ClF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3
InChI Key:
LZMXLCPYJNRWNQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1cc(F)c(c(c1F)Cl)F
Properties
Computed Properties
 
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.011g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.627g/mol
Monoisotopic Mass:
280.011g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Literature
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