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1368302-66-2 | Imidazo[2,1-b]thiazole-5-carboxylic acid, 3-methyl-6-(trifluoromethyl)-
CAS No: 1368302-66-2 Catalog No: AG0012FA MDL No:
Product Description
Catalog Number:
AG0012FA
Chemical Name:
Imidazo[2,1-b]thiazole-5-carboxylic acid, 3-methyl-6-(trifluoromethyl)-
CAS Number:
1368302-66-2
Molecular Formula:
C8H5F3N2O2S
Molecular Weight:
250.1977
IUPAC Name:
3-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H5F3N2O2S/c1-3-2-16-7-12-5(8(9,10)11)4(6(14)15)13(3)7/h2H,1H3,(H,14,15)
InChI Key:
SQBRRBURKCMCOT-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(nc2n1c(C)cs2)C(F)(F)F
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.195g/mol
Monoisotopic Mass:
250.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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