4-(2-bromo-5-chlorophenyl)morpholine

• ChemBase ID: 290244
• Molecular Formular: C10H11BrClNO
• Molecular Mass: 276.55744
• Monoisotopic Mass: 274.97125366
• SMILES: Clc1ccc(Br)c(N2CCOCC2)c1
• Canonical SMILES: Brc1ccc(cc1N1CCOCC1)Cl
• InChI: InChI=1S/C10H11BrClNO/c11-9-2-1-8(12)7-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6H2
• InChIKey: BBOQXICRCYNALX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-bromo-5-chlorophenyl)morpholine
• IUPAC Traditional name: 4-(2-bromo-5-chlorophenyl)morpholine
• Synonyms: 4-(2-Bromo-5-chlorophenyl)morpholine

Database IDs

• CAS Number: 1257665-20-5
• PubChem SID: 180675775
• PubChem CID: 53217037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2355864
• LogD (pH = 7.4): 3.2355866
• Log P: 3.2355866
• Molar Refractivity: 61.9887 cm^3
• Polarizability: 23.5459 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%