2-chloro-4-methoxyaniline

• ChemBase ID: 265262
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: c1(cc(ccc1N)OC)Cl
• Canonical SMILES: COc1ccc(c(c1)Cl)N
• InChI: InChI=1S/C7H8ClNO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
• InChIKey: LNEVUNYUJNORRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methoxyaniline
• IUPAC Traditional name: 2-chloro-4-methoxyaniline
• Synonyms: 2-chloro-4-methoxyaniline

Database IDs

• CAS Number: 29242-84-0
• MDL Number: MFCD00209639
• PubChem SID: 164321172
• PubChem CID: 407432

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5864197
• LogD (pH = 7.4): 1.5906392
• Log P: 1.5906932
• Molar Refractivity: 42.0264 cm^3
• Polarizability: 15.869605 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.929

Product Information

• Purity: 95%; 95+%