1-bromo-4-(1-bromopropyl)benzene

• ChemBase ID: 238607
• Molecular Formular: C9H10Br2
• Molecular Mass: 277.9837
• Monoisotopic Mass: 275.91492432
• SMILES: c1(ccc(cc1)Br)C(Br)CC
• Canonical SMILES: CCC(c1ccc(cc1)Br)Br
• InChI: InChI=1S/C9H10Br2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3
• InChIKey: KJYYIARXZUOWNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(1-bromopropyl)benzene
• IUPAC Traditional name: 1-bromo-4-(1-bromopropyl)benzene
• Synonyms: 1-bromo-4-(1-bromopropyl)benzene

Database IDs

• MDL Number: MFCD11180331
• PubChem SID: 164294517
• PubChem CID: 43141467

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.453833
• LogD (pH = 7.4): 4.453833
• Log P: 4.453833
• Molar Refractivity: 55.474 cm^3
• Polarizability: 21.440916 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.845

Product Information

• Purity: 95%