3,5-dichloro-4-methoxyaniline

• ChemBase ID: 267573
• Molecular Formular: C7H7Cl2NO
• Molecular Mass: 192.04258
• Monoisotopic Mass: 190.99046921
• SMILES: c1(c(cc(cc1Cl)N)Cl)OC
• Canonical SMILES: COc1c(Cl)cc(cc1Cl)N
• InChI: InChI=1S/C7H7Cl2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
• InChIKey: GNFMBCBDTFAEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-methoxyaniline
• IUPAC Traditional name: 3,5-dichloro-4-methoxyaniline
• Synonyms: 3,5-dichloro-4-methoxyaniline

Database IDs

• MDL Number: MFCD11647707
• PubChem SID: 164323483
• PubChem CID: 13178651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1897855
• LogD (pH = 7.4): 2.1946752
• Log P: 2.194738
• Molar Refractivity: 46.8312 cm^3
• Polarizability: 17.832516 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.256

Product Information

• Purity: 95%