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133046-46-5 | 4-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS No: 133046-46-5 Catalog No: AG0011KE MDL No:MFCD10568298
Product Description
Catalog Number:
AG0011KE
Chemical Name:
4-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS Number:
133046-46-5
Molecular Formula:
C7H6F3NO2S
Molecular Weight:
225.1882
MDL Number:
MFCD10568298
IUPAC Name:
ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C7H6F3NO2S/c1-2-13-5(12)4-3-14-6(11-4)7(8,9)10/h3H,2H2,1H3
InChI Key:
WFUNYBAJYAWHLX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)C(F)(F)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.185g/mol
Monoisotopic Mass:
225.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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