3-(Methylsulfinyl)-5-(trifluoromethyl)picolinic Acid - CAS 1384870-13-6
Catalog: |
BB059168 |
Product Name: |
3-(Methylsulfinyl)-5-(trifluoromethyl)picolinic Acid |
CAS: |
1384870-13-6 |
Synonyms: |
3-Methylsulfinyl-5-trifluoromethylpyridine-2-carboxylic Acid; AE 1344122 |
IUPAC Name: | 3-methylsulfinyl-5-(trifluoromethyl)pyridine-2-carboxylic acid |
Description: | 3-(Methylsulfinyl)-5-(trifluoromethyl)picolinic Acid is a useful reagent in the preparation of the agrochemical herbicide benzyloxazole. |
Molecular Weight: | 253.20 |
Molecular Formula: | C8H6F3NO3S |
Canonical SMILES: | CS(=O)C1=C(N=CC(=C1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C8H6F3NO3S/c1-16(15)5-2-4(8(9,10)11)3-12-6(5)7(13)14/h2-3H,1H3,(H,13,14) |
InChI Key: | RQFCURAIFZONFT-UHFFFAOYSA-N |
References: | Zeiss, H., et al. From PCT Int. Appl. (2010), WO 2010009847 A1 20100128. |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.00204871 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.00204871 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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