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139244-47-6 | 2-Pyrazinecarboxylic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
CAS No: 139244-47-6 Catalog No: AG001AJW MDL No:
Product Description
Catalog Number:
AG001AJW
Chemical Name:
2-Pyrazinecarboxylic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
CAS Number:
139244-47-6
Molecular Formula:
C8H4F6N2O2
Molecular Weight:
274.1200
IUPAC Name:
1,1,1,3,3,3-hexafluoropropan-2-yl pyrazine-2-carboxylate
InChI:
InChI=1S/C8H4F6N2O2/c9-7(10,11)6(8(12,13)14)18-5(17)4-3-15-1-2-16-4/h1-3,6H
InChI Key:
WVGZASXPUIGDQS-UHFFFAOYSA-N
SMILES:
O=C(c1nccnc1)OC(C(F)(F)F)C(F)(F)F
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.122g/mol
Monoisotopic Mass:
274.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activity of a series of pyrazinoic acid esters. | Journal of medicinal chemistry 19920403 |
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