2-(3-chlorophenyl)morpholine

• ChemBase ID: 804242
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: C1C(OCCN1)c1cc(ccc1)Cl
• Canonical SMILES: Clc1cccc(c1)C1CNCCO1
• InChI: InChI=1S/C10H12ClNO/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12H,4-5,7H2
• InChIKey: GFAWQDWBIIPABX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenyl)morpholine
• IUPAC Traditional name: 2-(3-chlorophenyl)morpholine
• Synonyms: 2-(3-CHLOROPHENYL)MORPHOLINE

Database IDs

• CAS Number: 61151-63-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4988919
• LogD (pH = 7.4): 1.2354273
• Log P: 1.976906
• Molar Refractivity: 52.8555 cm^3
• Polarizability: 21.04017 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%