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

• ChemBase ID: 88093
• Molecular Formular: C10H11ClN2O3
• Molecular Mass: 242.65894
• Monoisotopic Mass: 242.0458199
• SMILES: N1(c2c(cc(cc2)[N+](=O)[O-])Cl)CCOCC1
• Canonical SMILES: Clc1cc(ccc1N1CCOCC1)[N+](=O)[O-]
• InChI: InChI=1S/C10H11ClN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2
• InChIKey: ZPKGWYXJULKUEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 55435-71-7
• MDL Number: MFCD00052898
• PubChem SID: 162075133
• PubChem CID: 108711

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: 22.640902 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%