5-(bromomethyl)-2,3-dihydro-1H-indene

• ChemBase ID: 248250
• Molecular Formular: C10H11Br
• Molecular Mass: 211.09834
• Monoisotopic Mass: 210.00441235
• SMILES: c12c(ccc(c1)CBr)CCC2
• Canonical SMILES: BrCc1ccc2c(c1)CCC2
• InChI: InChI=1S/C10H11Br/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3,7H2
• InChIKey: NTBYJOFMYKKLQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(bromomethyl)-2,3-dihydro-1H-indene
• IUPAC Traditional name: 5-(bromomethyl)-2,3-dihydro-1H-indene
• Synonyms: 5-(bromomethyl)-2,3-dihydro-1H-indene

Database IDs

• MDL Number: MFCD09261154
• PubChem SID: 164304160
• PubChem CID: 330184

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7536688
• LogD (pH = 7.4): 3.7536688
• Log P: 3.7536688
• Molar Refractivity: 51.7896 cm^3
• Polarizability: 19.4257 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.937

Product Information

• Purity: 95%