Ethyl 1H-Indazole-3-carboxylate - CAS 4498-68-4
Catalog: |
BB025744 |
Product Name: |
Ethyl 1H-Indazole-3-carboxylate |
CAS: |
4498-68-4 |
Synonyms: |
1H-indazole-3-carboxylic acid ethyl ester; ethyl 1H-indazole-3-carboxylate |
IUPAC Name: | ethyl 1H-indazole-3-carboxylate |
Description: | Ethyl 1H-Indazole-3-carboxylate (CAS# 4498-68-4) is a useful research chemical. |
Molecular Weight: | 190.20 |
Molecular Formula: | C10H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=NNC2=CC=CC=C21 |
InChI: | InChI=1S/C10H10N2O2/c1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h3-6H,2H2,1H3,(H,11,12) |
InChI Key: | YLKPTYMNELPKOL-UHFFFAOYSA-N |
Boiling Point: | 353.9 °C at 760 mmHg |
Density: | 1.272 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | Solid |
MDL: | MFCD01138134 |
LogP: | 1.73960 |
Publication Number | Title | Priority Date |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
WO-2020186220-A1 | Compounds as inhibitors of macrophage migration inhibitory factor | 20190313 |
JP-2020517667-A | Fused indazole pyridone compounds as antiviral agents | 20170427 |
TW-201841919-A | Fused carbazole pyridone compound as an antiviral agent | 20170427 |
CA-3010900-A1 | Spiroheptane salicylamides and related compounds as inhibitors of rock | 20160113 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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