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131748-96-4 | 5-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS No: 131748-96-4 Catalog No: AG000ZOP MDL No:MFCD09055619
Product Description
Catalog Number:
AG000ZOP
Chemical Name:
5-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS Number:
131748-96-4
Molecular Formula:
C7H6F3NO2S
Molecular Weight:
225.1882
MDL Number:
MFCD09055619
IUPAC Name:
ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C7H6F3NO2S/c1-2-13-5(12)4-3-11-6(14-4)7(8,9)10/h3H,2H2,1H3
InChI Key:
KQTWGECEHUVSPX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(s1)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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