methyl 2-(2-fluoro-6-methoxyphenyl)acetate

• ChemBase ID: 292491
• Molecular Formular: C10H11FO3
• Molecular Mass: 198.1909432
• Monoisotopic Mass: 198.06922243
• SMILES: COC(=O)Cc1c(F)cccc1OC
• Canonical SMILES: COC(=O)Cc1c(F)cccc1OC
• InChI: InChI=1S/C10H11FO3/c1-13-9-5-3-4-8(11)7(9)6-10(12)14-2/h3-5H,6H2,1-2H3
• InChIKey: IGEPCLQWACSVRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(2-fluoro-6-methoxyphenyl)acetate
• IUPAC Traditional name: methyl 2-(2-fluoro-6-methoxyphenyl)acetate
• Synonyms: Methyl 2-(2-fluoro-6-methoxyphenyl)acetate

Database IDs

• CAS Number: 1263379-06-1
• PubChem SID: 180678022
• PubChem CID: 70701044

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7419188
• LogD (pH = 7.4): 1.7419188
• Log P: 1.7419188
• Molar Refractivity: 48.8143 cm^3
• Polarizability: 18.864393 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%