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141860-78-8 | 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester, (2Z)-
CAS No: 141860-78-8 Catalog No: AG001HAC MDL No:MFCD00068195
Product Description
Catalog Number:
AG001HAC
Chemical Name:
2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester, (2Z)-
CAS Number:
141860-78-8
Molecular Formula:
C6H8F3NO2
Molecular Weight:
183.1284
MDL Number:
MFCD00068195
IUPAC Name:
ethyl (Z)-3-amino-4,4,4-trifluorobut-2-enoate
InChI:
InChI=1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3/b4-3-
InChI Key:
NXVKRKUGIINGHD-ARJAWSKDSA-N
SMILES:
CCOC(=O)/C=C(/C(F)(F)F)\N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
183.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.13g/mol
Monoisotopic Mass:
183.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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