7-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 246034
• Molecular Formular: C10H10BrCl
• Molecular Mass: 245.5434
• Monoisotopic Mass: 243.96544
• SMILES: c12c(ccc(c1)Br)CCCC2Cl
• Canonical SMILES: Brc1ccc2c(c1)C(Cl)CCC2
• InChI: InChI=1S/C10H10BrCl/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3H2
• InChIKey: ZSOHCTZKTRUGSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 7-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
• Synonyms: 7-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene

Database IDs

• MDL Number: MFCD08669437
• PubChem SID: 164301944
• PubChem CID: 62737506

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.318033
• LogD (pH = 7.4): 4.318033
• Log P: 4.318033
• Molar Refractivity: 55.7295 cm^3
• Polarizability: 21.491777 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.76

Product Information

• Purity: 95%