2-(3-bromophenyl)morpholine

• ChemBase ID: 266617
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: c1(cc(Br)ccc1)C1OCCNC1
• Canonical SMILES: Brc1cccc(c1)C1CNCCO1
• InChI: InChI=1S/C10H12BrNO/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12H,4-5,7H2
• InChIKey: ZAFIQPSQXJOTKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-bromophenyl)morpholine
• IUPAC Traditional name: 2-(3-bromophenyl)morpholine
• Synonyms: 2-(3-bromophenyl)morpholine

Database IDs

• CAS Number: 1018612-02-6
• MDL Number: MFCD10035261
• PubChem SID: 164322527
• PubChem CID: 43350820

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.34843704
• LogD (pH = 7.4): 1.3859547
• Log P: 2.141614
• Molar Refractivity: 55.6735 cm^3
• Polarizability: 21.935535 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.013

Product Information

• Purity: 95%; 98%