ethyl 6-bromoindolizine-2-carboxylate

• ChemBase ID: 289624
• Molecular Formular: C11H10BrNO2
• Molecular Mass: 268.1066
• Monoisotopic Mass: 266.98949057
• SMILES: O=C(c1cn2cc(Br)ccc2c1)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(c1)ccc(c2)Br
• InChI: InChI=1S/C11H10BrNO2/c1-2-15-11(14)8-5-10-4-3-9(12)7-13(10)6-8/h3-7H,2H2,1H3
• InChIKey: ALWPXYCZMXDKTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-bromoindolizine-2-carboxylate
• IUPAC Traditional name: ethyl 6-bromoindolizine-2-carboxylate
• Synonyms: Ethyl 6-bromoindolizine-2-carboxylate

Database IDs

• CAS Number: 1251014-35-3
• PubChem SID: 180675155
• PubChem CID: 57345883

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7387974
• LogD (pH = 7.4): 2.7387974
• Log P: 2.7387974
• Molar Refractivity: 62.5374 cm^3
• Polarizability: 23.904678 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%