3,4-dichloro-2-methylaniline

• ChemBase ID: 290988
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: Nc1ccc(Cl)c(Cl)c1C
• Canonical SMILES: Nc1ccc(c(c1C)Cl)Cl
• InChI: InChI=1S/C7H7Cl2N/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3
• InChIKey: NMIWDZYCBUCFON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-2-methylaniline
• IUPAC Traditional name: 3,4-dichloro-2-methylaniline
• Synonyms: 3,4-Dichloro-2-methylaniline

Database IDs

• CAS Number: 62077-25-2
• PubChem SID: 180676519
• PubChem CID: 20429777

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.864967
• LogD (pH = 7.4): 2.8658197
• Log P: 2.8658307
• Molar Refractivity: 45.4092 cm^3
• Polarizability: 17.011543 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%