Home Halogens 2,2,2-trifluoroethyl 2-chloro-2-oxoacetate

2,2,2-trifluoroethyl 2-chloro-2-oxoacetate

CAS No.:
958649-45-1
Catalog Number:
AG01AF9U
Molecular Formula:
C4H2ClF3O3
Molecular Weight:
190.5051
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Product Description
Catalog Number:
AG01AF9U
Chemical Name:
2,2,2-trifluoroethyl 2-chloro-2-oxoacetate
CAS Number:
958649-45-1
Molecular Formula:
C4H2ClF3O3
Molecular Weight:
190.5051
MDL Number:
MFCD26936297
IUPAC Name:
2,2,2-trifluoroethyl 2-chloro-2-oxoacetate
InChI:
InChI=1S/C4H2ClF3O3/c5-2(9)3(10)11-1-4(6,7)8/h1H2
InChI Key:
SEARFTWVELJQMX-UHFFFAOYSA-N
SMILES:
O=C(C(=O)Cl)OCC(F)(F)F
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.964g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.502g/mol
Monoisotopic Mass:
189.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties