| CAS Number | 1094351-12-8 |
| Catalog Number | AG01BTVT |
| Chemical Name | 2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| 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 |
| MDL Number | MFCD11207792 |
| Molecular Formula | C12H10FNO2S |
| Molecular Weight | 251.2767 |
| SMILES | CC1=C(C(O)=O)SC(C2=CC(C)=C(F)C=C2)=N1 |
| Synonyms | 1094351-12-8,
2-(4-fluoro-3-methylphenyl)-4-methylthiazole-5-carboxylic acid,
ZINC36928982,
AKOS009328149,
Z2167281115,
2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid,
|
| 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 |
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