ethyl 2-iodo-5-methoxybenzoate

• ChemBase ID: 292372
• Molecular Formular: C10H11IO3
• Molecular Mass: 306.09701
• Monoisotopic Mass: 305.97529221
• SMILES: CCOC(=O)c1c(I)ccc(OC)c1
• Canonical SMILES: CCOC(=O)c1cc(OC)ccc1I
• InChI: InChI=1S/C10H11IO3/c1-3-14-10(12)8-6-7(13-2)4-5-9(8)11/h4-6H,3H2,1-2H3
• InChIKey: ULUXIBYOAQNUIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-iodo-5-methoxybenzoate
• IUPAC Traditional name: ethyl 2-iodo-5-methoxybenzoate
• Synonyms: Ethyl 2-iodo-5-methoxybenzoate

Database IDs

• CAS Number: 104807-65-0
• PubChem SID: 180677903
• PubChem CID: 70701074

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.104804
• LogD (pH = 7.4): 3.104804
• Log P: 3.104804
• Molar Refractivity: 62.6576 cm^3
• Polarizability: 24.353527 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%