ethyl 2-bromo-2-cyclopropylacetate

• ChemBase ID: 799684
• Molecular Formular: C7H11BrO2
• Molecular Mass: 207.06504
• Monoisotopic Mass: 205.99424159
• SMILES: O(C(=O)C(C1CC1)Br)CC
• Canonical SMILES: CCOC(=O)C(C1CC1)Br
• InChI: InChI=1S/C7H11BrO2/c1-2-10-7(9)6(8)5-3-4-5/h5-6H,2-4H2,1H3
• InChIKey: BTAPHOMYBWYDEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-bromo-2-cyclopropylacetate
• IUPAC Traditional name: ethyl 2-bromo-2-cyclopropylacetate
• Synonyms: ethyl 2-bromo-2-cyclopropylacetate

Database IDs

• CAS Number: 1200828-74-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9947289
• LogD (pH = 7.4): 1.9947289
• Log P: 1.9947289
• Molar Refractivity: 41.5854 cm^3
• Polarizability: 16.535017 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%