2,3-dibromo-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 108526
• Molecular Formular: C10H10Br2
• Molecular Mass: 289.9944
• Monoisotopic Mass: 287.91492432
• SMILES: BrC1Cc2ccccc2CC1Br
• Canonical SMILES: BrC1Cc2ccccc2CC1Br
• InChI: InChI=1S/C10H10Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9-10H,5-6H2
• InChIKey: HOUFAHCSZPNYFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 2,3-dibromo-1,2,3,4-tetrahydronaphthalene
• Synonyms: 2,3-DIBROMO-1,2,3,4-TETRAHYDRONAPHTHALENE

Database IDs

• CAS Number: 2018-87-3
• PubChem SID: 162094318
• PubChem CID: 246592

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.044052
• LogD (pH = 7.4): 4.044052
• Log P: 4.044052
• Molar Refractivity: 58.6402 cm^3
• Polarizability: 22.329357 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207697

MP Biomedicals Rare Chemical collection