4,6-dibromo-1H-indazole-1-carbaldehyde

• ChemBase ID: 810663
• Molecular Formular: C8H4Br2N2O
• Molecular Mass: 303.93816
• Monoisotopic Mass: 301.86903676
• SMILES: c1nn(c2cc(cc(c12)Br)Br)C=O
• Canonical SMILES: O=Cn1ncc2c1cc(Br)cc2Br
• InChI: InChI=1S/C8H4Br2N2O/c9-5-1-7(10)6-3-11-12(4-13)8(6)2-5/h1-4H
• InChIKey: KSUFXIGWPHSLRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dibromo-1H-indazole-1-carbaldehyde
• IUPAC Traditional name: 4,6-dibromoindazole-1-carbaldehyde
• Synonyms: 4,6-DIBROMO-INDAZOLECARBOXALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1049232
• LogD (pH = 7.4): 2.1049232
• Log P: 2.1049232
• Molar Refractivity: 56.0985 cm^3
• Polarizability: 22.367502 Å^3
• Polar Surface Area: 34.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%