Home Carboxys 2-(3-(TrifluoroMethyl)benzyl)thiazole-4-carboxylic acid

2-(3-(TrifluoroMethyl)benzyl)thiazole-4-carboxylic acid

CAS No.:
478030-66-9
Catalog Number:
AG00E6Q7
Molecular Formula:
C12H8F3NO2S
Molecular Weight:
287.2576
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Product Description
Catalog Number:
AG00E6Q7
Chemical Name:
2-(3-(TrifluoroMethyl)benzyl)thiazole-4-carboxylic acid
CAS Number:
478030-66-9
Molecular Formula:
C12H8F3NO2S
Molecular Weight:
287.2576
MDL Number:
MFCD02186742
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C12H8F3NO2S/c13-12(14,15)8-3-1-2-7(4-8)5-10-16-9(6-19-10)11(17)18/h1-4,6H,5H2,(H,17,18)
InChI Key:
MJNOMNDFRZBRQY-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.023g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.256g/mol
Monoisotopic Mass:
287.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties