2,4-dichloro-3-methylaniline

• ChemBase ID: 308197
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: c1(c(c(ccc1Cl)N)Cl)C
• Canonical SMILES: Clc1ccc(c(c1C)Cl)N
• InChI: InChI=1S/C7H7Cl2N/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,10H2,1H3
• InChIKey: FOYMVHMUBKHXLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3-methylaniline
• IUPAC Traditional name: 2,4-dichloro-3-methylaniline
• Synonyms: (2,4-dichloro-3-methylphenyl)amine

Database IDs

• CAS Number: 19853-79-3
• MDL Number: MFCD02334760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.865564
• LogD (pH = 7.4): 2.8658273
• Log P: 2.8658307
• Molar Refractivity: 45.4092 cm^3
• Polarizability: 16.985878 Å^3
• Polar Surface Area: 26.02 Å^2