1-(4-Fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic Acid - CAS 618070-62-5
Catalog: |
BB031266 |
Product Name: |
1-(4-Fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic Acid |
CAS: |
618070-62-5 |
Synonyms: |
1-(4-fluorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid; 1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
IUPAC Name: | 1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
Description: | 1-(4-Fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic Acid (CAS# 618070-62-5) is a useful research chemical. |
Molecular Weight: | 274.17 |
Molecular Formula: | C11H6F4N2O2 |
Canonical SMILES: | C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)(F)F)F |
InChI: | InChI=1S/C11H6F4N2O2/c12-6-1-3-7(4-2-6)17-9(11(13,14)15)8(5-16-17)10(18)19/h1-5H,(H,18,19) |
InChI Key: | SXVYAOLQOXWZLQ-UHFFFAOYSA-N |
MDL: | MFCD03934807 |
LogP: | 2.72840 |
Publication Number | Title | Priority Date |
CN-111592529-A | Phenyl pyrazole amide derivative and preparation method and application thereof | 20200702 |
CN-108440412-B | 2-pyrazole amide cyclohexyl sulfonamide compound, preparation method and application thereof | 20180518 |
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Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.03654009 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.03654009 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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