methyl 3-(2,4-dichlorophenoxy)propanoate

• ChemBase ID: 236773
• Molecular Formular: C10H10Cl2O3
• Molecular Mass: 249.0906
• Monoisotopic Mass: 248.00069954
• SMILES: c1(cc(ccc1OCCC(=O)OC)Cl)Cl
• Canonical SMILES: COC(=O)CCOc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C10H10Cl2O3/c1-14-10(13)4-5-15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3
• InChIKey: MKNBYTBUULRHFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(2,4-dichlorophenoxy)propanoate
• IUPAC Traditional name: methyl 3-(2,4-dichlorophenoxy)propanoate
• Synonyms: methyl 3-(2,4-dichlorophenoxy)propanoate

Database IDs

• MDL Number: MFCD00152418
• PubChem SID: 164292683
• PubChem CID: 43085757

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.884554
• Log P: 2.884554
• Molar Refractivity: 57.6839 cm^3
• Polarizability: 22.997932 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.884554

PROPERTIES

Physical Property

• Melting Point: 35 - 37°C
• Hydrophobicity(logP): 3.47

Product Information

• Purity: 95%