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117724-63-7 | 2-Methyl-4-(trifluoromethyl);thiazole-5-carboxylic acid
CAS No: 117724-63-7 Catalog No: AG003HNF MDL No:MFCD00173295
Product Description
Catalog Number:
AG003HNF
Chemical Name:
2-Methyl-4-(trifluoromethyl);thiazole-5-carboxylic acid
CAS Number:
117724-63-7
Molecular Formula:
C6H4F3NO2S
Molecular Weight:
211.1617
MDL Number:
MFCD00173295
IUPAC Name:
2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
InChI Key:
REKJPVUFKQYMHW-UHFFFAOYSA-N
SMILES:
Cc1sc(c(n1)C(F)(F)F)C(=O)O
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
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