chloromethyl 2,4-dichlorophenyl carbonate

• ChemBase ID: 81836
• Molecular Formular: C8H5Cl3O3
• Molecular Mass: 255.4825
• Monoisotopic Mass: 253.93042706
• SMILES: O(c1ccc(cc1Cl)Cl)C(=O)OCCl
• Canonical SMILES: ClCOC(=O)Oc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C8H5Cl3O3/c9-4-13-8(12)14-7-2-1-5(10)3-6(7)11/h1-3H,4H2
• InChIKey: FULRNDWXFYYEKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloromethyl 2,4-dichlorophenyl carbonate
• IUPAC Traditional name: chloromethyl 2,4-dichlorophenyl carbonate
• Synonyms: chloromethyl (2,4-dichlorophenyl) carbonate

Database IDs

• MDL Number: MFCD00208109
• PubChem SID: 162068955
• PubChem CID: 542764

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.021644
• LogD (pH = 7.4): 4.021644
• Log P: 4.021644
• Molar Refractivity: 53.063 cm^3
• Polarizability: 21.29582 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true