2,4-dichloro-5-methoxy-N-methylaniline

• ChemBase ID: 290987
• Molecular Formular: C8H9Cl2NO
• Molecular Mass: 206.06916
• Monoisotopic Mass: 205.00611927
• SMILES: CNc1cc(OC)c(Cl)cc1Cl
• Canonical SMILES: CNc1cc(OC)c(cc1Cl)Cl
• InChI: InChI=1S/C8H9Cl2NO/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4,11H,1-2H3
• InChIKey: PGNRGQDKBKNBJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-methoxy-N-methylaniline
• IUPAC Traditional name: 2,4-dichloro-5-methoxy-N-methylaniline
• Synonyms: 2,4-Dichloro-5-methoxy-N-methylaniline

Database IDs

• CAS Number: 1072945-55-1
• PubChem SID: 180676518
• PubChem CID: 46738930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4954114
• LogD (pH = 7.4): 2.496429
• Log P: 2.496442
• Molar Refractivity: 52.3246 cm^3
• Polarizability: 19.624899 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%