ethyl 1-bromocyclopropane-1-carboxylate

• ChemBase ID: 294574
• Molecular Formular: C6H9BrO2
• Molecular Mass: 193.03846
• Monoisotopic Mass: 191.97859153
• SMILES: O=C(C1(Br)CC1)OCC
• Canonical SMILES: CCOC(=O)C1(Br)CC1
• InChI: InChI=1S/C6H9BrO2/c1-2-9-5(8)6(7)3-4-6/h2-4H2,1H3
• InChIKey: OZANNKKBYBYGCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-bromocyclopropane-1-carboxylate
• IUPAC Traditional name: ethyl 1-bromocyclopropane-1-carboxylate
• Synonyms: Ethyl 1-bromocyclopropanecarboxylate

Database IDs

• CAS Number: 89544-83-2
• MDL Number: MFCD01314227
• PubChem SID: 180680105
• PubChem CID: 13113733

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.695907
• LogD (pH = 7.4): 1.695907
• Log P: 1.695907
• Molar Refractivity: 37.1491 cm^3
• Polarizability: 14.747422 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%