1,2-dichloro-4,5-dimethoxybenzene

• ChemBase ID: 16028
• Molecular Formular: C8H8Cl2O2
• Molecular Mass: 207.05392
• Monoisotopic Mass: 205.99013486
• SMILES: c1(c(cc(c(c1)OC)OC)Cl)Cl
• Canonical SMILES: COc1cc(Cl)c(cc1OC)Cl
• InChI: InChI=1S/C8H8Cl2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
• InChIKey: RJYXLZQZBLGBOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-4,5-dimethoxybenzene
• IUPAC Traditional name: 4,5-dichloroveratrole
• Synonyms: 4,5-Dichloroveratrole

Database IDs

• CAS Number: 2772-46-5
• MDL Number: MFCD01108712
• PubChem SID: 160979335
• PubChem CID: 17713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8659925
• LogD (pH = 7.4): 2.8659925
• Log P: 2.8659925
• Molar Refractivity: 48.594 cm^3
• Polarizability: 19.204945 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%