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

• ChemBase ID: 84318
• Molecular Formular: C10H11ClN2O3
• Molecular Mass: 242.65894
• Monoisotopic Mass: 242.0458199
• SMILES: N1(c2c(cc(cc2)Cl)[N+](=O)[O-])CCOCC1
• Canonical SMILES: Clc1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
• InChI: InChI=1S/C10H11ClN2O3/c11-8-1-2-9(10(7-8)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6H2
• InChIKey: KJISHWYSNGQNFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00455140
• PubChem SID: 162071434
• PubChem CID: 522191

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: 22.628023 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true