2-amino-6-chlorophenol hydrochloride

• ChemBase ID: 273009
• Molecular Formular: C6H7Cl2NO
• Molecular Mass: 180.03188
• Monoisotopic Mass: 178.99046921
• SMILES: c1(c(N)cccc1Cl)O.Cl
• Canonical SMILES: Oc1c(N)cccc1Cl.Cl
• InChI: InChI=1S/C6H6ClNO.ClH/c7-4-2-1-3-5(8)6(4)9;/h1-3,9H,8H2;1H
• InChIKey: PBRSOEGFBFLXTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-chlorophenol hydrochloride
• IUPAC Traditional name: 2-amino-6-chlorophenol hydrochloride
• Synonyms: 2-amino-6-chlorophenol hydrochloride

Database IDs

• MDL Number: MFCD18483241
• PubChem SID: 164328919
• PubChem CID: 12514798

CALCULATED PROPERTIES

• Acid pKa: 8.827715
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.438382
• LogD (pH = 7.4): 1.4286953
• Log P: 1.4447992
• Molar Refractivity: 37.5441 cm^3
• Polarizability: 13.983357 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.382

Product Information

• Purity: 95%