2,5-dichloro-4-methoxyaniline

• ChemBase ID: 78117
• Molecular Formular: C7H7Cl2NO
• Molecular Mass: 192.04258
• Monoisotopic Mass: 190.99046921
• SMILES: Nc1c(cc(c(c1)Cl)OC)Cl
• Canonical SMILES: COc1cc(Cl)c(cc1Cl)N
• InChI: InChI=1S/C7H7Cl2NO/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3H,10H2,1H3
• InChIKey: VCMXIPGKIUDONN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-4-methoxyaniline
• IUPAC Traditional name: 2,5-dichloro-4-methoxyaniline
• Synonyms: 4-Amino-2,5-dichloroanisole; 2,5-Dichloro-4-methoxyaniline

Database IDs

• PubChem SID: 162104393
• PubChem CID: 19933313

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1938872
• LogD (pH = 7.4): 2.1947272
• Log P: 2.194738
• Molar Refractivity: 46.8312 cm^3
• Polarizability: 17.813427 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant