3,5-dichloro-2,6-dimethoxybenzamide

• ChemBase ID: 79152
• Molecular Formular: C9H9Cl2NO3
• Molecular Mass: 250.07866
• Monoisotopic Mass: 248.99594851
• SMILES: O=C(c1c(c(cc(c1OC)Cl)Cl)OC)N
• Canonical SMILES: COc1c(Cl)cc(c(c1C(=O)N)OC)Cl
• InChI: InChI=1S/C9H9Cl2NO3/c1-14-7-4(10)3-5(11)8(15-2)6(7)9(12)13/h3H,1-2H3,(H2,12,13)
• InChIKey: FOXKPXMTDLUJJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2,6-dimethoxybenzamide
• IUPAC Traditional name: 3,5-dichloro-2,6-dimethoxybenzamide
• Synonyms: 3,5-dichloro-2,6-dimethoxybenzamide

Database IDs

• CAS Number: 90650-25-2
• MDL Number: MFCD00148947
• PubChem SID: 162043915
• PubChem CID: 2774754

CALCULATED PROPERTIES

• Acid pKa: 12.215165
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.716633
• LogD (pH = 7.4): 1.7166389
• Log P: 1.716633
• Molar Refractivity: 57.6724 cm^3
• Polarizability: 22.153498 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%