2-(2-chloro-4-formylphenoxy)acetamide

• ChemBase ID: 312049
• Molecular Formular: C9H8ClNO3
• Molecular Mass: 213.61772
• Monoisotopic Mass: 213.0192708
• SMILES: c1(c(OCC(=O)N)ccc(c1)C=O)Cl
• Canonical SMILES: O=Cc1ccc(c(c1)Cl)OCC(=O)N
• InChI: InChI=1S/C9H8ClNO3/c10-7-3-6(4-12)1-2-8(7)14-5-9(11)13/h1-4H,5H2,(H2,11,13)
• InChIKey: DHFRSTCPYRRWCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-4-formylphenoxy)acetamide
• IUPAC Traditional name: 2-(2-chloro-4-formylphenoxy)acetamide
• Synonyms: 2-(2-chloro-4-formylphenoxy)acetamide

Database IDs

• CAS Number: 333743-26-3
• MDL Number: MFCD04219210

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8031623
• LogD (pH = 7.4): 0.80316234
• Log P: 0.8031623
• Molar Refractivity: 51.8168 cm^3
• Polarizability: 19.774542 Å^3
• Polar Surface Area: 69.39 Å^2