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

• ChemBase ID: 290486
• Molecular Formular: C8H9Br2NO
• Molecular Mass: 294.97116
• Monoisotopic Mass: 292.90508791
• SMILES: CNc1cc(Br)c(Br)cc1OC
• Canonical SMILES: CNc1cc(Br)c(cc1OC)Br
• InChI: InChI=1S/C8H9Br2NO/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,11H,1-2H3
• InChIKey: CMUAKWGAJXFCNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dibromo-2-methoxy-N-methylaniline
• IUPAC Traditional name: 4,5-dibromo-2-methoxy-N-methylaniline
• Synonyms: 4,5-Dibromo-2-methoxy-N-methylaniline

Database IDs

• CAS Number: 1187386-09-9
• PubChem SID: 180676017
• PubChem CID: 46739827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7913444
• LogD (pH = 7.4): 2.8254058
• Log P: 2.8258579
• Molar Refractivity: 57.9606 cm^3
• Polarizability: 21.69913 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%