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144193-97-5 | Butanoic acid, 3,3,4-trifluoro-2,2-dimethyl-, ethyl ester
CAS No: 144193-97-5 Catalog No: AG001J36 MDL No:
Product Description
Catalog Number:
AG001J36
Chemical Name:
Butanoic acid, 3,3,4-trifluoro-2,2-dimethyl-, ethyl ester
CAS Number:
144193-97-5
Molecular Formula:
C8H13F3O2
Molecular Weight:
198.1828
IUPAC Name:
ethyl 3,3,4-trifluoro-2,2-dimethylbutanoate
InChI:
InChI=1S/C8H13F3O2/c1-4-13-6(12)7(2,3)8(10,11)5-9/h4-5H2,1-3H3
InChI Key:
IISFODUJGOZKJT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(CF)(F)F)(C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.185g/mol
Monoisotopic Mass:
198.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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