2-bromo-6-methoxybenzaldehyde

• ChemBase ID: 292013
• Molecular Formular: C8H7BrO2
• Molecular Mass: 215.04398
• Monoisotopic Mass: 213.96294146
• SMILES: O=Cc1c(OC)cccc1Br
• Canonical SMILES: COc1cccc(c1C=O)Br
• InChI: InChI=1S/C8H7BrO2/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3
• InChIKey: RQLOLSOZFHENIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 126712-07-0
• MDL Number: MFCD08059232
• PubChem SID: 180677544
• PubChem CID: 554845

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2968295
• LogD (pH = 7.4): 2.2968295
• Log P: 2.2968295
• Molar Refractivity: 46.728 cm^3
• Polarizability: 17.620077 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%