4-(5-chloro-2-nitrophenyl)morpholine

• ChemBase ID: 44151
• Molecular Formular: C10H11ClN2O3
• Molecular Mass: 242.65894
• Monoisotopic Mass: 242.0458199
• SMILES: c1cc(cc(c1[N+](=O)[O-])N1CCOCC1)Cl
• Canonical SMILES: Clc1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
• InChI: InChI=1S/C10H11ClN2O3/c11-8-1-2-9(13(14)15)10(7-8)12-3-5-16-6-4-12/h1-2,7H,3-6H2
• InChIKey: BDBMOQCOLZWAIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-chloro-2-nitrophenyl)morpholine
• IUPAC Traditional name: 4-(5-chloro-2-nitrophenyl)morpholine
• Synonyms: 4-(5-Chloro-2-nitrophenyl)morpholine

Database IDs

• CAS Number: 65976-63-8
• MDL Number: MFCD00448347
• PubChem SID: 162048914
• PubChem CID: 2829611

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4068182
• LogD (pH = 7.4): 2.4068182
• Log P: 2.4068182
• Molar Refractivity: 61.6906 cm^3
• Polarizability: 22.640856 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71 - 73 °C; 71-73°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%