5-[4-Chloro-2-(trifluoromethyl)phenyl]-2-furancarboxylic Acid - CAS 1094391-72-6
Catalog: |
BB069647 |
Product Name: |
5-[4-Chloro-2-(trifluoromethyl)phenyl]-2-furancarboxylic Acid |
CAS: |
1094391-72-6 |
Synonyms: |
5-(4-Chloro-2-(trifluoromethyl)phenyl)furan-2-carboxylic Acid |
IUPAC Name: | 5-[4-chloro-2-(trifluoromethyl)phenyl]furan-2-carboxylic acid |
Description: | 5-[4-Chloro-2-(trifluoromethyl)phenyl]-2-furancarboxylic Acid is a reactant used in the preparation of (aryl)-N-[(phenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazolyl]furancarboxamide derivatives as herbicides. |
Molecular Weight: | 290.62 |
Molecular Formula: | C12H6ClF3O3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C(F)(F)F)C2=CC=C(O2)C(=O)O |
InChI: | InChI=1S/C12H6ClF3O3/c13-6-1-2-7(8(5-6)12(14,15)16)9-3-4-10(19-9)11(17)18/h1-5H,(H,17,18) |
InChI Key: | IPZVHXYSTXOGNB-UHFFFAOYSA-N |
References: | Xue, S., et. al. Youji Huaxue, 28, 494 (2008). |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.9957562 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.9957562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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