ethyl 2-(3-iodophenoxy)acetate

• ChemBase ID: 61465
• Molecular Formular: C10H11IO3
• Molecular Mass: 306.09701
• Monoisotopic Mass: 305.97529221
• SMILES: C(=O)(COc1cc(I)ccc1)OCC
• Canonical SMILES: CCOC(=O)COc1cccc(c1)I
• InChI: InChI=1S/C10H11IO3/c1-2-13-10(12)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3
• InChIKey: HEOIVYCQWPDJOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(3-iodophenoxy)acetate
• IUPAC Traditional name: ethyl 2-(3-iodophenoxy)acetate
• Synonyms: Ethyl 2-(3-iodophenoxy)acetate

Database IDs

• CAS Number: 90888-04-3
• MDL Number: MFCD06659701
• PubChem SID: 162027206
• PubChem CID: 43087163

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7252042
• LogD (pH = 7.4): 2.7252042
• Log P: 2.7252042
• Molar Refractivity: 61.486 cm^3
• Polarizability: 24.376173 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%