4-bromo-2-ethoxyaniline

• ChemBase ID: 239181
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: c1(cc(ccc1N)Br)OCC
• Canonical SMILES: CCOc1cc(Br)ccc1N
• InChI: InChI=1S/C8H10BrNO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3
• InChIKey: FRYQWMDMRFFGRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-ethoxyaniline
• IUPAC Traditional name: 4-bromo-2-ethoxyaniline
• Synonyms: 4-bromo-2-ethoxyaniline

Database IDs

• MDL Number: MFCD12547811
• PubChem SID: 164295091
• PubChem CID: 15555502

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1029637
• LogD (pH = 7.4): 2.1120915
• Log P: 2.112209
• Molar Refractivity: 49.593 cm^3
• Polarizability: 18.637835 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.787

Product Information

• Purity: 95%