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

• ChemBase ID: 248748
• Molecular Formular: C10H11Br
• Molecular Mass: 211.09834
• Monoisotopic Mass: 210.00441235
• SMILES: c12c(CCC1CBr)cccc2
• Canonical SMILES: BrCC1CCc2c1cccc2
• InChI: InChI=1S/C10H11Br/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2
• InChIKey: ACJQXEYQFQYOQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19105073
• PubChem SID: 164304658
• PubChem CID: 12892137

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4493127
• LogD (pH = 7.4): 3.4493127
• Log P: 3.4493127
• Molar Refractivity: 51.374 cm^3
• Polarizability: 19.426107 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.527

Product Information

• Purity: 95%