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1226776-93-7 | 5-Thiazolecarboxylic acid, 2-methoxy-4-(trifluoromethyl)-
CAS No: 1226776-93-7 Catalog No: AG0017LB MDL No:MFCD16495884
Product Description
Catalog Number:
AG0017LB
Chemical Name:
5-Thiazolecarboxylic acid, 2-methoxy-4-(trifluoromethyl)-
CAS Number:
1226776-93-7
Molecular Formula:
C6H4F3NO3S
Molecular Weight:
227.1611
MDL Number:
MFCD16495884
IUPAC Name:
2-methoxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C6H4F3NO3S/c1-13-5-10-3(6(7,8)9)2(14-5)4(11)12/h1H3,(H,11,12)
InChI Key:
DAGFIURSOZGKLT-UHFFFAOYSA-N
SMILES:
COc1sc(c(n1)C(F)(F)F)C(=O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.157g/mol
Monoisotopic Mass:
226.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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