4-bromonaphthalene-1-carbaldehyde

• ChemBase ID: 294820
• Molecular Formular: C11H7BrO
• Molecular Mass: 235.07668
• Monoisotopic Mass: 233.96802684
• SMILES: O=Cc1c2ccccc2c(Br)cc1
• Canonical SMILES: O=Cc1ccc(c2c1cccc2)Br
• InChI: InChI=1S/C11H7BrO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-7H
• InChIKey: SESASPRCAIMYLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromonaphthalene-1-carbaldehyde
• IUPAC Traditional name: 4-bromonaphthalene-1-carbaldehyde
• Synonyms: 4-Bromo-1-naphthaldehyde

Database IDs

• CAS Number: 50672-84-9
• MDL Number: MFCD111N/A1N/A26
• PubChem SID: 180680351
• PubChem CID: 4640413

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4439776
• LogD (pH = 7.4): 3.4439776
• Log P: 3.4439776
• Molar Refractivity: 56.715 cm^3
• Polarizability: 22.399895 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%