methyl 3,5-dibromo-4,6-dimethoxy-2-methylbenzoate

• ChemBase ID: 302234
• Molecular Formular: C11H12Br2O4
• Molecular Mass: 368.01858
• Monoisotopic Mass: 365.91023286
• SMILES: Cc1c(c(c(c(c1Br)OC)Br)OC)C(=O)OC
• Canonical SMILES: COC(=O)c1c(C)c(Br)c(c(c1OC)Br)OC
• InChI: InChI=1S/C11H12Br2O4/c1-5-6(11(14)17-4)9(15-2)8(13)10(16-3)7(5)12/h1-4H3
• InChIKey: HCKWDQNSOKQKEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3,5-dibromo-4,6-dimethoxy-2-methylbenzoate
• IUPAC Traditional name: methyl 3,5-dibromo-4,6-dimethoxy-2-methylbenzoate
• Synonyms: 3,5-Dibromo-2,4-dimethoxy-6-methylbenzoic acid methyl ester; Methyl 3,5-dibromo-2,4-dimethoxy-6-methylbenzoate; 3,5-二溴-2,4-二甲氧基-6-甲基苯甲酸甲酯

Database IDs

• CAS Number: 150965-73-4
• MDL Number: MFCD00082673
• Beilstein Number: 6143738

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.712307
• LogD (pH = 7.4): 3.712307
• Log P: 3.712307
• Molar Refractivity: 71.2965 cm^3
• Polarizability: 27.58179 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59-60°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%