5-bromo-2-(propan-2-yl)-2H-indazole

• ChemBase ID: 292079
• Molecular Formular: C10H11BrN2
• Molecular Mass: 239.11174
• Monoisotopic Mass: 238.01056036
• SMILES: CC(n1nc2ccc(Br)cc2c1)C
• Canonical SMILES: Brc1ccc2c(c1)cn(n2)C(C)C
• InChI: InChI=1S/C10H11BrN2/c1-7(2)13-6-8-5-9(11)3-4-10(8)12-13/h3-7H,1-2H3
• InChIKey: XIGHIVSTILBEDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(propan-2-yl)-2H-indazole
• IUPAC Traditional name: 5-bromo-2-isopropylindazole
• Synonyms: 5-Bromo-2-isopropyl-2H-indazole

Database IDs

• CAS Number: 1280786-61-9
• MDL Number: MFCD18783166
• PubChem SID: 180677610
• PubChem CID: 53216941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3185532
• LogD (pH = 7.4): 3.3185685
• Log P: 3.3185685
• Molar Refractivity: 67.8298 cm^3
• Polarizability: 22.775366 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%