2-chloro-6-methoxyaniline

• ChemBase ID: 290147
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: COc1cccc(Cl)c1N
• Canonical SMILES: COc1cccc(c1N)Cl
• InChI: InChI=1S/C7H8ClNO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,9H2,1H3
• InChIKey: SEZKSJHQUIRBCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxyaniline
• IUPAC Traditional name: 2-chloro-6-methoxyaniline
• Synonyms: 2-Chloro-6-methoxyaniline

Database IDs

• CAS Number: 158966-62-2
• MDL Number: MFCD14455911
• PubChem SID: 180675678
• PubChem CID: 10351938

CALCULATED PROPERTIES

• Acid pKa: 18.960562
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5896164
• LogD (pH = 7.4): 1.5906796
• Log P: 1.5906932
• Molar Refractivity: 42.0264 cm^3
• Polarizability: 15.870981 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%