2-(2-chlorophenyl)morpholine

• ChemBase ID: 270338
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: c1(C2OCCNC2)c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1C1CNCCO1
• InChI: InChI=1S/C10H12ClNO/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2
• InChIKey: GZOCSISIGGFMGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 864539-95-7
• MDL Number: MFCD09901453
• PubChem SID: 164326248
• PubChem CID: 3739938

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.43705258
• LogD (pH = 7.4): 1.294753
• Log P: 1.976906
• Molar Refractivity: 52.8555 cm^3
• Polarizability: 21.045898 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.863

Product Information

• Purity: 95%; 98%