4-(2-bromophenyl)morpholine

• ChemBase ID: 290446
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: Brc1ccccc1N1CCOCC1
• Canonical SMILES: Brc1ccccc1N1CCOCC1
• InChI: InChI=1S/C10H12BrNO/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8H2
• InChIKey: SGUXGSGHYOGBDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-bromophenyl)morpholine
• IUPAC Traditional name: 4-(2-bromophenyl)morpholine
• Synonyms: 4-(2-Bromophenyl)morpholine

Database IDs

• CAS Number: 87698-82-6
• PubChem SID: 180675977
• PubChem CID: 5325729

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6315417
• LogD (pH = 7.4): 2.6315417
• Log P: 2.631542
• Molar Refractivity: 57.1839 cm^3
• Polarizability: 21.586222 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%