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

2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

CAS No.:
1803608-34-5
Catalog Number:
AG01BBP7
Molecular Formula:
C14H14FNO2S
Molecular Weight:
279.3299
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Product Description
Catalog Number:
AG01BBP7
Chemical Name:
2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CAS Number:
1803608-34-5
Molecular Formula:
C14H14FNO2S
Molecular Weight:
279.3299
MDL Number:
MFCD27013504
IUPAC Name:
2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
InChI:
InChI=1S/C14H14FNO2S/c1-8-6-9(15)4-5-10(8)12-16-11(7-19-12)14(2,3)13(17)18/h4-7H,1-3H3,(H,17,18)
InChI Key:
ZBWOJSJXEMASGM-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C)c1scc(n1)C(C(=O)O)(C)C
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.073g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.329g/mol
Monoisotopic Mass:
279.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties