2-(benzyloxy)-4-bromobenzaldehyde

• ChemBase ID: 292008
• Molecular Formular: C14H11BrO2
• Molecular Mass: 291.13994
• Monoisotopic Mass: 289.99424159
• SMILES: O=Cc1ccc(Br)cc1OCc1ccccc1
• Canonical SMILES: O=Cc1ccc(cc1OCc1ccccc1)Br
• InChI: InChI=1S/C14H11BrO2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2
• InChIKey: MTCCBXXJEDZGIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-4-bromobenzaldehyde
• IUPAC Traditional name: 2-(benzyloxy)-4-bromobenzaldehyde
• Synonyms: 2-(Benzyloxy)-4-bromobenzaldehyde

Database IDs

• CAS Number: 142602-43-5
• MDL Number: MFCD11651774
• PubChem SID: 180677539
• PubChem CID: 15673062

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0213027
• LogD (pH = 7.4): 4.0213027
• Log P: 4.0213027
• Molar Refractivity: 71.3406 cm^3
• Polarizability: 27.059092 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%