1-[(4-Fluorophenyl)methyl]-1H-indazole-3-carboxylic Acid - CAS 50264-63-6
Catalog: |
BB065109 |
Product Name: |
1-[(4-Fluorophenyl)methyl]-1H-indazole-3-carboxylic Acid |
CAS: |
50264-63-6 |
Synonyms: |
1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic Acid |
IUPAC Name: | 1-[(4-fluorophenyl)methyl]indazole-3-carboxylic acid |
Description: | 1-[(4-Fluorophenyl)methyl]-1H-indazole-3-carboxylic Acid is used as a reactant in the preparaion of cannabinoid indole and indazole compounds for treating pain and nausea. Synthetic cannabinoids |
Molecular Weight: | 270.26 |
Molecular Formula: | C15H11FN2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=NN2CC3=CC=C(C=C3)F)C(=O)O |
InChI: | InChI=1S/C15H11FN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20) |
InChI Key: | VRKPPEZAPRSYRE-UHFFFAOYSA-N |
Solubility: | Chloroform |
Appearance: | WHITE SOLID |
Storage: | 20°C |
References: | Bowden, Matthew J., et al. PCT Int. Appl.,В WOВ 2014167530В A1В 20141016В (2014); Longworth, M., et al. ACS Chem. Neurosci., 8, 2159 (2017). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 358 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.08045576 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.08045576 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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