1-(3-bromopropoxy)-3-iodobenzene

• ChemBase ID: 263380
• Molecular Formular: C9H10BrIO
• Molecular Mass: 340.98357
• Monoisotopic Mass: 339.89597494
• SMILES: c1c(I)cccc1OCCCBr
• Canonical SMILES: BrCCCOc1cccc(c1)I
• InChI: InChI=1S/C9H10BrIO/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-4,7H,2,5-6H2
• InChIKey: LZYAADAPQLXKRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromopropoxy)-3-iodobenzene
• IUPAC Traditional name: 1-(3-bromopropoxy)-3-iodobenzene
• Synonyms: 1-(3-bromopropoxy)-3-iodobenzene

Database IDs

• MDL Number: MFCD11182883
• PubChem SID: 164319290
• PubChem CID: 43144822

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6544638
• LogD (pH = 7.4): 3.6544638
• Log P: 3.6544638
• Molar Refractivity: 63.0759 cm^3
• Polarizability: 24.589834 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.385

Product Information

• Purity: 95%