2-(2-bromophenyl)morpholine

• ChemBase ID: 267209
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: c1(C2OCCNC2)c(Br)cccc1
• Canonical SMILES: Brc1ccccc1C1CNCCO1
• InChI: InChI=1S/C10H12BrNO/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2
• InChIKey: DYZGCDVZBPGIJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11646196
• PubChem SID: 164323119
• PubChem CID: 22472793

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.29853514
• LogD (pH = 7.4): 1.4347621
• Log P: 2.141614
• Molar Refractivity: 55.6735 cm^3
• Polarizability: 21.93646 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%