6-bromonaphthalene-2-carbaldehyde

• ChemBase ID: 290128
• Molecular Formular: C11H7BrO
• Molecular Mass: 235.07668
• Monoisotopic Mass: 233.96802684
• SMILES: O=Cc1ccc2cc(Br)ccc2c1
• Canonical SMILES: O=Cc1ccc2c(c1)ccc(c2)Br
• InChI: InChI=1S/C11H7BrO/c12-11-4-3-9-5-8(7-13)1-2-10(9)6-11/h1-7H
• InChIKey: DLLDUYJRQNTEOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromonaphthalene-2-carbaldehyde
• IUPAC Traditional name: 6-bromonaphthalene-2-carbaldehyde
• Synonyms: 6-Bromo-2-naphthaldehyde

Database IDs

• CAS Number: 170737-46-9
• MDL Number: MFCD09842469
• PubChem SID: 180675659
• PubChem CID: 13477029

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: 22.394012 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%