2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester


Chemical Name: 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester
CAS Number: 372-29-2
Product Number: AG00I7CD(AGN-PC-0JMOPN)
Synonyms:
MDL No:
Molecular Formula: C6H8F3NO2
Molecular Weight: 183.1284

Identification/Properties


Computed Properties
Molecular Weight:
183.13g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
183.051g/mol
Monoisotopic Mass:
183.051g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
198
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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