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167548-89-2 | 5-Thiazolecarboxylic acid, 4-(trifluoromethyl)-
CAS No: 167548-89-2 Catalog No: AG001XG4 MDL No:MFCD14551345
Product Description
Catalog Number:
AG001XG4
Chemical Name:
5-Thiazolecarboxylic acid, 4-(trifluoromethyl)-
CAS Number:
167548-89-2
Molecular Formula:
C5H2F3NO2S
Molecular Weight:
197.1351
MDL Number:
MFCD14551345
IUPAC Name:
4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C5H2F3NO2S/c6-5(7,8)3-2(4(10)11)12-1-9-3/h1H,(H,10,11)
InChI Key:
LGMYDWYBEAWGAV-UHFFFAOYSA-N
SMILES:
OC(=O)c1scnc1C(F)(F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.131g/mol
Monoisotopic Mass:
196.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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