methyl 2-(1H-indazol-1-yl)acetate

• ChemBase ID: 803563
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: O(C(=O)Cn1ncc2c1cccc2)C
• Canonical SMILES: COC(=O)Cn1ncc2c1cccc2
• InChI: InChI=1S/C10H10N2O2/c1-14-10(13)7-12-9-5-3-2-4-8(9)6-11-12/h2-6H,7H2,1H3
• InChIKey: GRODDLGIRKFPFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(1H-indazol-1-yl)acetate
• IUPAC Traditional name: methyl 2-(indazol-1-yl)acetate
• Synonyms: METHYL 1H-INDAZOL-1-YLACETATE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0438502
• LogD (pH = 7.4): 1.043861
• Log P: 1.0438612
• Molar Refractivity: 62.1428 cm^3
• Polarizability: 20.924345 Å^3
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%