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

• ChemBase ID: 270629
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: [N+](=[N-])=Nc1cc2c(cc1)CCC2
• Canonical SMILES: [N-]=[N+]=Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C9H9N3/c10-12-11-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
• InChIKey: RNNOMJDAURJHKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-azido-2,3-dihydro-1H-indene
• IUPAC Traditional name: 5-azido-2,3-dihydro-1H-indene
• Synonyms: 5-azido-2,3-dihydro-1H-indene

Database IDs

• MDL Number: MFCD11207331
• PubChem SID: 164326539
• PubChem CID: 43154604

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2872553
• LogD (pH = 7.4): 3.2872553
• Log P: 3.401301
• Molar Refractivity: 49.2268 cm^3
• Polarizability: 17.19511 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.598

Product Information

• Purity: 95%