5-bromo-2-propyl-2H-indazole

• ChemBase ID: 291565
• Molecular Formular: C10H11BrN2
• Molecular Mass: 239.11174
• Monoisotopic Mass: 238.01056036
• SMILES: CCCn1nc2ccc(Br)cc2c1
• Canonical SMILES: CCCn1cc2c(n1)ccc(c2)Br
• InChI: InChI=1S/C10H11BrN2/c1-2-5-13-7-8-6-9(11)3-4-10(8)12-13/h3-4,6-7H,2,5H2,1H3
• InChIKey: XJLGRBTWISXVGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-propyl-2H-indazole
• IUPAC Traditional name: 5-bromo-2-propylindazole
• Synonyms: 5-Bromo-2-propyl-2H-indazole

Database IDs

• CAS Number: 1280786-77-7
• MDL Number: MFCD18434482
• PubChem SID: 180677096
• PubChem CID: 53217448

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4244995
• LogD (pH = 7.4): 3.4245157
• Log P: 3.424516
• Molar Refractivity: 67.935 cm^3
• Polarizability: 22.775463 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%