Home Other Building Blocks methyl 2,2,2-trifluoroethyl oxalate

methyl 2,2,2-trifluoroethyl oxalate

CAS No.:
1803562-29-9
Catalog Number:
AG01BA0K
Molecular Formula:
C5H5F3O4
Molecular Weight:
186.0860
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Product Description
Catalog Number:
AG01BA0K
Chemical Name:
methyl 2,2,2-trifluoroethyl oxalate
CAS Number:
1803562-29-9
Molecular Formula:
C5H5F3O4
Molecular Weight:
186.0860
MDL Number:
MFCD28505714
IUPAC Name:
1-O-methyl 2-O-(2,2,2-trifluoroethyl) oxalate
InChI:
InChI=1S/C5H5F3O4/c1-11-3(9)4(10)12-2-5(6,7)8/h2H2,1H3
InChI Key:
QSNCGGSHECUXPJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)OCC(F)(F)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.014g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.086g/mol
Monoisotopic Mass:
186.014g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties