Carbonic acid, methyl 2,2,2-trifluoroethyl ester


Chemical Name: Carbonic acid, methyl 2,2,2-trifluoroethyl ester
CAS Number: 156783-95-8
Product Number: AG001OZR(AGN-PC-01LY5P)
Synonyms:
MDL No:
Molecular Formula: C4H5F3O3
Molecular Weight: 158.0759

Identification/Properties


Computed Properties
Molecular Weight:
158.076g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
158.019g/mol
Monoisotopic Mass:
158.019g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
119
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3272
Hazard Statements:
H226
Precautionary Statements:
P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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