Home Carboxys 2-(4-fluoro-3-methylphenyl)-4-methylthiazole-5-carboxylic acid

2-(4-fluoro-3-methylphenyl)-4-methylthiazole-5-carboxylic acid

CAS No.:
1094351-12-8
Catalog Number:
AG01BTVT
Molecular Formula:
C12H10FNO2S
Molecular Weight:
251.2767
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Product Description
Catalog Number:
AG01BTVT
Chemical Name:
2-(4-fluoro-3-methylphenyl)-4-methylthiazole-5-carboxylic acid
CAS Number:
1094351-12-8
Molecular Formula:
C12H10FNO2S
Molecular Weight:
251.2767
MDL Number:
MFCD11207792
IUPAC Name:
2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C12H10FNO2S/c1-6-5-8(3-4-9(6)13)11-14-7(2)10(17-11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChI Key:
KTZIWWQWABDKOJ-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1F)c1sc(c(n1)C)C(=O)O
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.042g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.275g/mol
Monoisotopic Mass:
251.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties