4-[(2-bromo-4-fluorophenyl)methyl]morpholine

• ChemBase ID: 292141
• Molecular Formular: C11H13BrFNO
• Molecular Mass: 274.1294232
• Monoisotopic Mass: 273.01645426
• SMILES: Fc1ccc(c(Br)c1)CN1CCOCC1
• Canonical SMILES: Fc1ccc(c(c1)Br)CN1CCOCC1
• InChI: InChI=1S/C11H13BrFNO/c12-11-7-10(13)2-1-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
• InChIKey: JRIHSKPSHQDJMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-bromo-4-fluorophenyl)methyl]morpholine
• IUPAC Traditional name: 4-[(2-bromo-4-fluorophenyl)methyl]morpholine
• Synonyms: 4-(2-Bromo-4-fluorobenzyl)morpholine

Database IDs

• CAS Number: 1086600-40-9
• PubChem SID: 180677672
• PubChem CID: 51075174

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4694421
• LogD (pH = 7.4): 2.6055536
• Log P: 2.6075966
• Molar Refractivity: 61.5144 cm^3
• Polarizability: 23.553055 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%