2-amino-4-chloro-6-methylphenol

• ChemBase ID: 275923
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: c1(c(c(cc(c1)Cl)C)O)N
• Canonical SMILES: Clc1cc(C)c(c(c1)N)O
• InChI: InChI=1S/C7H8ClNO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,9H2,1H3
• InChIKey: JHWKYZJXIHYBTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-chloro-6-methylphenol
• IUPAC Traditional name: 2-amino-4-chloro-6-methylphenol
• Synonyms: 2-amino-4-chloro-6-methylphenol

Database IDs

• MDL Number: MFCD09833891
• PubChem SID: 164331833
• PubChem CID: 12803039

CALCULATED PROPERTIES

• Acid pKa: 10.132862
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9492736
• LogD (pH = 7.4): 1.95729
• Log P: 1.9582206
• Molar Refractivity: 42.5853 cm^3
• Polarizability: 15.71658 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.161

Product Information

• Purity: 95%