6-bromopyridazin-3-ol

• ChemBase ID: 308971
• Molecular Formular: C4H3BrN2O
• Molecular Mass: 174.98342
• Monoisotopic Mass: 173.94287473
• SMILES: n1nc(ccc1Br)O
• Canonical SMILES: Oc1ccc(nn1)Br
• InChI: InChI=1S/C4H3BrN2O/c5-3-1-2-4(8)7-6-3/h1-2H,(H,7,8)
• InChIKey: XLAKVMDAMKGUET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyridazin-3-ol
• IUPAC Traditional name: 6-bromopyridazin-3-ol
• Synonyms: 6-bromo-3-pyridazinol

Database IDs

• CAS Number: 51355-94-3
• MDL Number: MFCD11223475

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0326318
• LogD (pH = 7.4): 0.6419276
• Log P: 1.0409703
• Molar Refractivity: 34.5238 cm^3
• Polarizability: 12.295839 Å^3
• Polar Surface Area: 46.01 Å^2