3-(4-bromophenyl)morpholine

• ChemBase ID: 801192
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: C1(COCCN1)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)C1NCCOC1
• InChI: InChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2
• InChIKey: FXQWZIVIJAEZCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-bromophenyl)morpholine
• IUPAC Traditional name: 3-(4-bromophenyl)morpholine
• Synonyms: 3-(4-BROMOPHENYL)MORPHOLINE

Database IDs

• CAS Number: 1225823-06-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.082542054
• LogD (pH = 7.4): 1.6211325
• Log P: 2.141614
• Molar Refractivity: 55.6735 cm^3
• Polarizability: 21.937044 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%