1-bromo-4-(bromomethyl)naphthalene

• ChemBase ID: 810442
• Molecular Formular: C11H8Br2
• Molecular Mass: 299.98922
• Monoisotopic Mass: 297.89927426
• SMILES: c1cc2c(cc1)c(ccc2Br)CBr
• Canonical SMILES: BrCc1ccc(c2c1cccc2)Br
• InChI: InChI=1S/C11H8Br2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,7H2
• InChIKey: FHXASJKBBLIBAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(bromomethyl)naphthalene
• IUPAC Traditional name: 1-bromo-4-(bromomethyl)naphthalene
• Synonyms: 1-BROMO-4-(BROMOMETHYL)NAPHTHALENE

Database IDs

• CAS Number: 79996-99-9

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5042124
• LogD (pH = 7.4): 4.5042124
• Log P: 4.5042124
• Molar Refractivity: 62.9814 cm^3
• Polarizability: 25.062504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%