6-bromo-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

• ChemBase ID: 799507
• Molecular Formular: C12H14BrN
• Molecular Mass: 252.15026
• Monoisotopic Mass: 251.03096145
• SMILES: C1C2(c3cc(ccc3C1)Br)NCCC2
• Canonical SMILES: Brc1ccc2c(c1)C1(CCCN1)CC2
• InChI: InChI=1S/C12H14BrN/c13-10-3-2-9-4-6-12(11(9)8-10)5-1-7-14-12/h2-3,8,14H,1,4-7H2
• InChIKey: CZJDTQVZRCZNOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• IUPAC Traditional name: 6-bromo-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• Synonyms: 6-bromo-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.06275056
• LogD (pH = 7.4): 0.22079952
• Log P: 3.1741376
• Molar Refractivity: 61.9402 cm^3
• Polarizability: 24.063557 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%