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Home > Fluorides > 128227-97-4
128227-97-4 | 2-Butenoic acid, 4,4,4-trifluoro-2-methyl-, ethyl ester
CAS No: 128227-97-4 Catalog No: AG000XVY MDL No:MFCD00190637
Product Description
Catalog Number:
AG000XVY
Chemical Name:
2-Butenoic acid, 4,4,4-trifluoro-2-methyl-, ethyl ester
CAS Number:
128227-97-4
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
MDL Number:
MFCD00190637
IUPAC Name:
ethyl (E)-4,4,4-trifluoro-2-methylbut-2-enoate
InChI:
InChI=1S/C7H9F3O2/c1-3-12-6(11)5(2)4-7(8,9)10/h4H,3H2,1-2H3/b5-4+
InChI Key:
PQNRXTIKMSOZQI-SNAWJCMRSA-N
SMILES:
CCOC(=O)C(=CC(F)(F)F)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.142g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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