Home Other Building Blocks 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

CAS No.:
1803581-34-1
Catalog Number:
AG01BBQE
Molecular Formula:
C13H11F2NO2S
Molecular Weight:
283.2937
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Product Description
Catalog Number:
AG01BBQE
Chemical Name:
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CAS Number:
1803581-34-1
Molecular Formula:
C13H11F2NO2S
Molecular Weight:
283.2937
MDL Number:
MFCD26420125
IUPAC Name:
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
InChI:
InChI=1S/C13H11F2NO2S/c1-13(2,12(17)18)10-6-19-11(16-10)8-5-7(14)3-4-9(8)15/h3-6H,1-2H3,(H,17,18)
InChI Key:
RJOVVWOESCKFGX-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)c1scc(n1)C(C(=O)O)(C)C)F
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.048g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.293g/mol
Monoisotopic Mass:
283.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties