1-(bromomethyl)-4-propylbenzene

• ChemBase ID: 247927
• Molecular Formular: C10H13Br
• Molecular Mass: 213.11422
• Monoisotopic Mass: 212.02006242
• SMILES: c1(ccc(cc1)CCC)CBr
• Canonical SMILES: CCCc1ccc(cc1)CBr
• InChI: InChI=1S/C10H13Br/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,2-3,8H2,1H3
• InChIKey: ICPVFOAWQNIBBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-4-propylbenzene
• IUPAC Traditional name: 1-(bromomethyl)-4-propylbenzene
• Synonyms: 1-(bromomethyl)-4-propylbenzene

Database IDs

• MDL Number: MFCD01930169
• PubChem SID: 164303837
• PubChem CID: 22246866

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.148542
• LogD (pH = 7.4): 4.148542
• Log P: 4.148542
• Molar Refractivity: 53.1516 cm^3
• Polarizability: 20.21063 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.481

Product Information

• Purity: 95%