1-(3-bromo-5-chlorophenyl)pyrrolidine

• ChemBase ID: 290231
• Molecular Formular: C10H11BrClN
• Molecular Mass: 260.55804
• Monoisotopic Mass: 258.97633904
• SMILES: Clc1cc(Br)cc(N2CCCC2)c1
• Canonical SMILES: Clc1cc(Br)cc(c1)N1CCCC1
• InChI: InChI=1S/C10H11BrClN/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2
• InChIKey: ZUVZTBKZTVMAIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromo-5-chlorophenyl)pyrrolidine
• IUPAC Traditional name: 1-(3-bromo-5-chlorophenyl)pyrrolidine
• Synonyms: 1-(3-Bromo-5-chlorophenyl)pyrrolidine

Database IDs

• CAS Number: 1261895-87-7
• PubChem SID: 180675762
• PubChem CID: 53217071

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8598483
• LogD (pH = 7.4): 3.859884
• Log P: 3.8598845
• Molar Refractivity: 60.4552 cm^3
• Polarizability: 22.78099 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%