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

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

CAS No.:
1423027-76-2
Catalog Number:
AG01A3AY
Molecular Formula:
C8H6F3NO2S
Molecular Weight:
237.1989
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Product Description
Catalog Number:
AG01A3AY
Chemical Name:
2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CAS Number:
1423027-76-2
Molecular Formula:
C8H6F3NO2S
Molecular Weight:
237.1989
MDL Number:
MFCD22741223
IUPAC Name:
2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H6F3NO2S/c9-8(10,11)5-4(7(13)14)15-6(12-5)3-1-2-3/h3H,1-2H2,(H,13,14)
InChI Key:
SKFZITCWKMFWBL-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C(F)(F)F)C1CC1
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.007g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.196g/mol
Monoisotopic Mass:
237.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties