2,4-dichloro-N-methoxy-N-methylbenzamide

• ChemBase ID: 43893
• Molecular Formular: C9H9Cl2NO2
• Molecular Mass: 234.07926
• Monoisotopic Mass: 233.00103389
• SMILES: c1(C(=O)N(OC)C)c(cc(cc1)Cl)Cl
• Canonical SMILES: CON(C(=O)c1ccc(cc1Cl)Cl)C
• InChI: InChI=1S/C9H9Cl2NO2/c1-12(14-2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,1-2H3
• InChIKey: YVAUNJBXBZNYQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-N-methoxy-N-methylbenzamide
• IUPAC Traditional name: 2,4-dichloro-N-methoxy-N-methylbenzamide
• Synonyms: 2,4-Dichloro-N-methoxy-N-methylbenzamide; 2,4-Dichloro-N-methoxy-N-methylbenzenecarboxamide

Database IDs

• CAS Number: 646528-36-1
• MDL Number: MFCD08689759
• PubChem SID: 162048656
• PubChem CID: 11845345

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• 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: 21.408352 Å^3
• Polar Surface Area: 29.54 Å^2

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

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

Product Information

• Purity: >95%