ethyl 2,6-dibromobenzoate

• ChemBase ID: 292930
• Molecular Formular: C9H8Br2O2
• Molecular Mass: 307.96662
• Monoisotopic Mass: 305.8891035
• SMILES: CCOC(=O)c1c(Br)cccc1Br
• Canonical SMILES: CCOC(=O)c1c(Br)cccc1Br
• InChI: InChI=1S/C9H8Br2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
• InChIKey: AEBVQYCWIHYSEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2,6-dibromobenzoate
• IUPAC Traditional name: ethyl 2,6-dibromobenzoate
• Synonyms: Ethyl 2,6-dibromobenzoate

Database IDs

• CAS Number: 1214375-69-5
• PubChem SID: 180678461
• PubChem CID: 20520745

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.871036
• LogD (pH = 7.4): 3.871036
• Log P: 3.871036
• Molar Refractivity: 58.0775 cm^3
• Polarizability: 22.50203 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%