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1286734-84-6 | 5-Thiazolecarboxylic acid, 2-(trifluoromethyl)-
CAS No: 1286734-84-6 Catalog No: AG000YAA MDL No:MFCD18632534
Product Description
Catalog Number:
AG000YAA
Chemical Name:
5-Thiazolecarboxylic acid, 2-(trifluoromethyl)-
CAS Number:
1286734-84-6
Molecular Formula:
C5H2F3NO2S
Molecular Weight:
197.1351
MDL Number:
MFCD18632534
IUPAC Name:
2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C5H2F3NO2S/c6-5(7,8)4-9-1-2(12-4)3(10)11/h1H,(H,10,11)
InChI Key:
POPWMBOAMPURLZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)C(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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