2-Butenoic acid, 4,4,4-trifluoro-3-(trifluoromethyl)-


Chemical Name: 2-Butenoic acid, 4,4,4-trifluoro-3-(trifluoromethyl)-
CAS Number: 1763-28-6
Product Number: AG0024KE(AGN-PC-0JKCFJ)
Synonyms:
MDL No:
Molecular Formula: C5H2F6O2
Molecular Weight: 208.0586

Identification/Properties


Computed Properties
Molecular Weight:
208.059g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
1
Exact Mass:
207.996g/mol
Monoisotopic Mass:
207.996g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
218
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#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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