2,4-dibromo-6-methylaniline

• ChemBase ID: 796335
• Molecular Formular: C7H7Br2N
• Molecular Mass: 264.94518
• Monoisotopic Mass: 262.89452323
• SMILES: Cc1c(c(cc(c1)Br)Br)N
• Canonical SMILES: Brc1cc(C)c(c(c1)Br)N
• InChI: InChI=1S/C7H7Br2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
• InChIKey: LOOOTYOQFFOBCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-6-methylaniline
• IUPAC Traditional name: 2,4-dibromo-6-methylaniline
• Synonyms: 2-AMino-3,5-dibroMotoluene

Database IDs

• CAS Number: 30273-41-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1946568
• LogD (pH = 7.4): 3.195239
• Log P: 3.1952465
• Molar Refractivity: 51.0452 cm^3
• Polarizability: 19.068758 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%