3,4-dichloro-N-methoxy-N-methylbenzamide

• ChemBase ID: 41955
• Molecular Formular: C9H9Cl2NO2
• Molecular Mass: 234.07926
• Monoisotopic Mass: 233.00103389
• SMILES: C(=O)(c1cc(c(cc1)Cl)Cl)N(OC)C
• Canonical SMILES: CON(C(=O)c1ccc(c(c1)Cl)Cl)C
• InChI: InChI=1S/C9H9Cl2NO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
• InChIKey: HGNZLPFQRSFKBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-N-methoxy-N-methylbenzamide
• IUPAC Traditional name: 3,4-dichloro-N-methoxy-N-methylbenzamide
• Synonyms: 3,4-Dichloro-N-methoxy-N-methylbenzenecarboxamide; 3,4-Dichloro-N-methoxy-N-methylbenzamide

Database IDs

• CAS Number: 200802-01-3
• MDL Number: MFCD08689664
• PubChem SID: 162046718
• PubChem CID: 11413642

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6304305
• LogD (pH = 7.4): 2.6304305
• Log P: 2.6304305
• Molar Refractivity: 55.8896 cm^3
• Polarizability: 21.418024 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%