3-chloro-5-methoxyaniline

• ChemBase ID: 291684
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: Nc1cc(OC)cc(Cl)c1
• Canonical SMILES: COc1cc(N)cc(c1)Cl
• InChI: InChI=1S/C7H8ClNO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
• InChIKey: XLAVBRTYEPFKSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-methoxyaniline
• IUPAC Traditional name: 3-chloro-5-methoxyaniline
• Synonyms: 3-Chloro-5-methoxyaniline

Database IDs

• CAS Number: 10272-06-7
• MDL Number: MFCD11035922
• PubChem SID: 180677215
• PubChem CID: 82508

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5891601
• LogD (pH = 7.4): 1.5906739
• Log P: 1.5906932
• Molar Refractivity: 42.0264 cm^3
• Polarizability: 15.867629 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%