2-bromoethyl 2-phenylacetate

• ChemBase ID: 246596
• Molecular Formular: C10H11BrO2
• Molecular Mass: 243.09714
• Monoisotopic Mass: 241.99424159
• SMILES: C(=O)(Cc1ccccc1)OCCBr
• Canonical SMILES: BrCCOC(=O)Cc1ccccc1
• InChI: InChI=1S/C10H11BrO2/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h1-5H,6-8H2
• InChIKey: ZWWGBCATTSMQFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromoethyl 2-phenylacetate
• IUPAC Traditional name: 2-bromoethyl 2-phenylacetate
• Synonyms: 2-bromoethyl 2-phenylacetate

Database IDs

• MDL Number: MFCD11053328
• PubChem SID: 164302506
• PubChem CID: 221889

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6068733
• LogD (pH = 7.4): 2.6068733
• Log P: 2.6068733
• Molar Refractivity: 54.4615 cm^3
• Polarizability: 21.176838 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.552

Product Information

• Purity: 95%