1-(2-bromoethyl)-4-ethylbenzene

• ChemBase ID: 274837
• Molecular Formular: C10H13Br
• Molecular Mass: 213.11422
• Monoisotopic Mass: 212.02006242
• SMILES: c1(ccc(cc1)CCBr)CC
• Canonical SMILES: BrCCc1ccc(cc1)CC
• InChI: InChI=1S/C10H13Br/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7-8H2,1H3
• InChIKey: FWBJWFXOZYZDDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethyl)-4-ethylbenzene
• IUPAC Traditional name: 1-(2-bromoethyl)-4-ethylbenzene
• Synonyms: 1-(2-bromoethyl)-4-ethylbenzene

Database IDs

• MDL Number: MFCD11110081
• PubChem SID: 164330747
• PubChem CID: 19813187

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9926345
• LogD (pH = 7.4): 3.9926345
• Log P: 3.9926345
• Molar Refractivity: 53.3056 cm^3
• Polarizability: 20.13716 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.051

Product Information

• Purity: 95%