2-bromo-6-ethoxyaniline

• ChemBase ID: 290309
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: Nc1c(OCC)cccc1Br
• Canonical SMILES: CCOc1cccc(c1N)Br
• InChI: InChI=1S/C8H10BrNO/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2,10H2,1H3
• InChIKey: BMRDKLUDXJPIFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-ethoxyaniline
• IUPAC Traditional name: 2-bromo-6-ethoxyaniline
• Synonyms: 2-Bromo-6-ethoxyaniline

Database IDs

• CAS Number: 1072945-59-5
• PubChem SID: 180675840
• PubChem CID: 46739179

CALCULATED PROPERTIES

• Acid pKa: 19.625183
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1097186
• LogD (pH = 7.4): 2.1121778
• Log P: 2.112209
• Molar Refractivity: 49.593 cm^3
• Polarizability: 18.64253 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%