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1263286-63-0 | 5-Thiazolecarboxylic acid, 4-methyl-2-(trifluoromethyl)-, ethyl ester
CAS No: 1263286-63-0 Catalog No: AG000SN5 MDL No:
Product Description
Catalog Number:
AG000SN5
Chemical Name:
5-Thiazolecarboxylic acid, 4-methyl-2-(trifluoromethyl)-, ethyl ester
CAS Number:
1263286-63-0
Molecular Formula:
C8H8F3NO2S
Molecular Weight:
239.2148
IUPAC Name:
ethyl 4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C8H8F3NO2S/c1-3-14-6(13)5-4(2)12-7(15-5)8(9,10)11/h3H2,1-2H3
InChI Key:
DKXSMRQYRJAVNT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C)C(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.212g/mol
Monoisotopic Mass:
239.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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