ethyl 2-(4-bromo-2-chlorophenyl)acetate

• ChemBase ID: 162789
• Molecular Formular: C10H10BrClO2
• Molecular Mass: 277.5422
• Monoisotopic Mass: 275.95526924
• SMILES: c1c(ccc(c1Cl)CC(=O)OCC)Br
• Canonical SMILES: CCOC(=O)Cc1ccc(cc1Cl)Br
• InChI: InChI=1S/C10H10BrClO2/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12/h3-4,6H,2,5H2,1H3
• InChIKey: OVTWAXDDSNTWCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-bromo-2-chlorophenyl)acetate
• IUPAC Traditional name: ethyl 2-(4-bromo-2-chlorophenyl)acetate
• Synonyms: Ethyl 2-(4-Bromo-2-chlorophenyl)acetate; 4-Bromo-2-chlorobenzeneacetic Acid Ethyl Ester

Database IDs

• CAS Number: 1261606-45-4
• PubChem SID: 162256924
• PubChem CID: 67119604

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4864933
• LogD (pH = 7.4): 3.4864933
• Log P: 3.4864933
• Molar Refractivity: 59.3109 cm^3
• Polarizability: 23.236328 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Colorless Semi-solid