Home Carboxys 5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

CAS No.:
1564582-05-3
Catalog Number:
AG01EK9E
Molecular Formula:
C6H4F3NO2S
Molecular Weight:
211.1617
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Product Description
Catalog Number:
AG01EK9E
Chemical Name:
5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
1564582-05-3
Molecular Formula:
C6H4F3NO2S
Molecular Weight:
211.1617
MDL Number:
MFCD26064489
IUPAC Name:
5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C6H4F3NO2S/c1-2-3(4(11)12)10-5(13-2)6(7,8)9/h1H3,(H,11,12)
InChI Key:
ITAFZLXXDDJRII-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(sc1C)C(F)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.991g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.158g/mol
Monoisotopic Mass:
210.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties