ethyl 2-(3-fluoro-4-iodophenyl)acetate

• ChemBase ID: 291700
• Molecular Formular: C10H10FIO2
• Molecular Mass: 308.0880732
• Monoisotopic Mass: 307.97095578
• SMILES: O=C(OCC)Cc1ccc(I)c(F)c1
• Canonical SMILES: CCOC(=O)Cc1ccc(c(c1)F)I
• InChI: InChI=1S/C10H10FIO2/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
• InChIKey: MVSKFYHLLRBZLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(3-fluoro-4-iodophenyl)acetate
• IUPAC Traditional name: ethyl 2-(3-fluoro-4-iodophenyl)acetate
• Synonyms: Ethyl 2-(3-fluoro-4-iodophenyl)acetate

Database IDs

• CAS Number: 1261606-34-1
• MDL Number: MFCD18396453
• PubChem SID: 180677231
• PubChem CID: 57347324

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1853426
• LogD (pH = 7.4): 3.1853426
• Log P: 3.1853426
• Molar Refractivity: 60.4622 cm^3
• Polarizability: 23.475672 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%