2-chloro-6-(morpholin-4-yl)benzaldehyde

• ChemBase ID: 259299
• Molecular Formular: C11H12ClNO2
• Molecular Mass: 225.67148
• Monoisotopic Mass: 225.05565631
• SMILES: c1(c(N2CCOCC2)cccc1Cl)C=O
• Canonical SMILES: O=Cc1c(Cl)cccc1N1CCOCC1
• InChI: InChI=1S/C11H12ClNO2/c12-10-2-1-3-11(9(10)8-14)13-4-6-15-7-5-13/h1-3,8H,4-7H2
• InChIKey: ZVRQUHIYZASEFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(morpholin-4-yl)benzaldehyde
• IUPAC Traditional name: 2-chloro-6-(morpholin-4-yl)benzaldehyde
• Synonyms: 2-chloro-6-(morpholin-4-yl)benzaldehyde

Database IDs

• MDL Number: MFCD11156345
• PubChem SID: 164315209
• PubChem CID: 28603570

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1793363
• LogD (pH = 7.4): 2.1793363
• Log P: 2.1793363
• Molar Refractivity: 60.9499 cm^3
• Polarizability: 22.60166 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 2.479

Product Information

• Purity: 95%