Home Carboxys 4-(3-(trifluoroMethyl)phenyl)thiazole-2-carboxylic acid

4-(3-(trifluoroMethyl)phenyl)thiazole-2-carboxylic acid

CAS No.:
847956-11-0
Catalog Number:
AG00GLSN
Molecular Formula:
C11H6F3NO2S
Molecular Weight:
273.2310
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Product Description
Catalog Number:
AG00GLSN
Chemical Name:
4-(3-(trifluoroMethyl)phenyl)thiazole-2-carboxylic acid
CAS Number:
847956-11-0
Molecular Formula:
C11H6F3NO2S
Molecular Weight:
273.2310
MDL Number:
MFCD07377547
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)8-5-18-9(15-8)10(16)17/h1-5H,(H,16,17)
InChI Key:
RFUZJOUSSSAGOB-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(n1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.007g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.229g/mol
Monoisotopic Mass:
273.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties