5-bromo-2,3-dihydro-1H-indene

• ChemBase ID: 264128
• Molecular Formular: C9H9Br
• Molecular Mass: 197.07176
• Monoisotopic Mass: 195.98876229
• SMILES: c12c(ccc(c1)Br)CCC2
• Canonical SMILES: Brc1ccc2c(c1)CCC2
• InChI: InChI=1S/C9H9Br/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
• InChIKey: UMEFRXDFDVRHMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,3-dihydro-1H-indene
• IUPAC Traditional name: 5-bromo-2,3-dihydro-1H-indene
• Synonyms: 5-bromo-2,3-dihydro-1H-indene; 5-Bromo-indan

Database IDs

• CAS Number: 6134-54-9
• MDL Number: MFCD09842508
• PubChem SID: 164320038
• PubChem CID: 267139

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.749684
• LogD (pH = 7.4): 3.749684
• Log P: 3.749684
• Molar Refractivity: 46.562 cm^3
• Polarizability: 17.697014 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.018

Product Information

• Purity: 95%; 95+%; 98%