1-(2-bromophenyl)pyrrolidine

• ChemBase ID: 290518
• Molecular Formular: C10H12BrN
• Molecular Mass: 226.11298
• Monoisotopic Mass: 225.01531139
• SMILES: Brc1ccccc1N1CCCC1
• Canonical SMILES: Brc1ccccc1N1CCCC1
• InChI: InChI=1S/C10H12BrN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
• InChIKey: RSEPYQZONPBLLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromophenyl)pyrrolidine
• IUPAC Traditional name: 1-(2-bromophenyl)pyrrolidine
• Synonyms: 1-(2-Bromophenyl)pyrrolidine

Database IDs

• CAS Number: 87698-81-5
• PubChem SID: 180676049
• PubChem CID: 13231827

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.255688
• LogD (pH = 7.4): 3.255838
• Log P: 3.2558398
• Molar Refractivity: 55.6504 cm^3
• Polarizability: 20.83682 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%