2-bromo-6-methoxyaniline

• ChemBase ID: 87686
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: Nc1c(cccc1OC)Br
• Canonical SMILES: COc1cccc(c1N)Br
• InChI: InChI=1S/C7H8BrNO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,9H2,1H3
• InChIKey: UDCXBOHQMWRTDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-methoxyaniline
• IUPAC Traditional name: 2-bromo-6-methoxyaniline
• Synonyms: 2-Amino-3-bromoanisole; 6-Bromo-o-anisidine; 2-Bromo-6-methoxyaniline 97%; 2-Bromo-6-methoxyaniline

Database IDs

• CAS Number: 5473-01-8
• MDL Number: MFCD08741448
• PubChem SID: 162074726
• PubChem CID: 232270

CALCULATED PROPERTIES

• Acid pKa: 19.654327
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7530947
• LogD (pH = 7.4): 1.7553722
• Log P: 1.7554013
• Molar Refractivity: 44.8444 cm^3
• Polarizability: 16.832165 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold

Product Information

• Purity: 95+%