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400-52-2 | T-BUTYL TRIFLUOROACETATE
CAS No: 400-52-2 Catalog No: AG003UHV MDL No:MFCD00780927
Product Description
Catalog Number:
AG003UHV
Chemical Name:
T-BUTYL TRIFLUOROACETATE
CAS Number:
400-52-2
Molecular Formula:
C6H9F3O2
Molecular Weight:
170.1297
MDL Number:
MFCD00780927
IUPAC Name:
tert-butyl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C6H9F3O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3
InChI Key:
UQJLSMYQBOJUGG-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)OC(C)(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.131g/mol
Monoisotopic Mass:
170.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Double- and triple-consecutive O-insertion into tert-butyl and triarylmethyl structures. | Organic letters 20040722 |
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