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Home Other Building Blocks 2-[3-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1,3-THIAZOLE-4-CARBOXYLIC ACID

2-[3-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1,3-THIAZOLE-4-CARBOXYLIC ACID

CAS No.:
449778-74-9
Catalog Number:
AG00DIYT
Molecular Formula:
C9H6F3N3O2S
Molecular Weight:
277.2230
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Product Description
Catalog Number:
AG00DIYT
Chemical Name:
2-[3-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1,3-THIAZOLE-4-CARBOXYLIC ACID
CAS Number:
449778-74-9
Molecular Formula:
C9H6F3N3O2S
Molecular Weight:
277.2230
MDL Number:
MFCD03012088
IUPAC Name:
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H6F3N3O2S/c1-4-2-6(9(10,11)12)15(14-4)8-13-5(3-18-8)7(16)17/h2-3H,1H3,(H,16,17)
InChI Key:
FIHDHYCDPQIHTA-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C(F)(F)F)c1scc(n1)C(=O)O
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.013g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.221g/mol
Monoisotopic Mass:
277.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties