4-(4,5-dichloro-2-nitrophenyl)morpholine

• ChemBase ID: 78782
• Molecular Formular: C10H10Cl2N2O3
• Molecular Mass: 277.104
• Monoisotopic Mass: 276.00684755
• SMILES: [N+](=O)(c1c(cc(c(c1)Cl)Cl)N1CCOCC1)[O-]
• Canonical SMILES: Clc1cc(N2CCOCC2)c(cc1Cl)[N+](=O)[O-]
• InChI: InChI=1S/C10H10Cl2N2O3/c11-7-5-9(13-1-3-17-4-2-13)10(14(15)16)6-8(7)12/h5-6H,1-4H2
• InChIKey: KFQXFYMZLORMSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4,5-dichloro-2-nitrophenyl)morpholine
• IUPAC Traditional name: 4-(4,5-dichloro-2-nitrophenyl)morpholine
• Synonyms: 4-(4,5-dichloro-2-nitrophenyl)morpholine

Database IDs

• MDL Number: MFCD00116159
• PubChem SID: 162043545
• PubChem CID: 2774267

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0108628
• LogD (pH = 7.4): 3.0108628
• Log P: 3.0108628
• Molar Refractivity: 66.4954 cm^3
• Polarizability: 24.618963 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true