2-bromoethyl 2-methylprop-2-enoate

• ChemBase ID: 107891
• Molecular Formular: C6H9BrO2
• Molecular Mass: 193.03846
• Monoisotopic Mass: 191.97859153
• SMILES: CC(=C)C(=O)OCCBr
• Canonical SMILES: CC(=C)C(=O)OCCBr
• InChI: InChI=1S/C6H9BrO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3
• InChIKey: AOUSBQVEVZBMNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromoethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-bromoethyl 2-methylprop-2-enoate
• Synonyms: 2-BROMOETHYL METHACRYLATE

Database IDs

• CAS Number: 4513-56-8
• EC Number: 224-836-2
• PubChem SID: 162090125
• PubChem CID: 78271

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1577103
• LogD (pH = 7.4): 2.1577103
• Log P: 2.1577103
• Molar Refractivity: 38.7444 cm^3
• Polarizability: 15.163406 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205353

MP Biomedicals Rare Chemical collection