3-(3-chlorophenyl)morpholine

• ChemBase ID: 804246
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: C1(COCCN1)c1cc(ccc1)Cl
• Canonical SMILES: Clc1cccc(c1)C1COCCN1
• InChI: InChI=1S/C10H12ClNO/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10/h1-3,6,10,12H,4-5,7H2
• InChIKey: BVVLTFIYZDQMAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1017396-60-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.18275058
• LogD (pH = 7.4): 1.5048556
• Log P: 1.976906
• Molar Refractivity: 52.8555 cm^3
• Polarizability: 21.041618 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%