1,1-diethyl 2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate

• ChemBase ID: 40073
• Molecular Formular: C15H17ClO4
• Molecular Mass: 296.74608
• Monoisotopic Mass: 296.0815367
• SMILES: C1(C(C1)c1ccc(cc1)Cl)(C(=O)OCC)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1(CC1c1ccc(cc1)Cl)C(=O)OCC
• InChI: InChI=1S/C15H17ClO4/c1-3-19-13(17)15(14(18)20-4-2)9-12(15)10-5-7-11(16)8-6-10/h5-8,12H,3-4,9H2,1-2H3
• InChIKey: WHGBMFXPDCARTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-diethyl 2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
• IUPAC Traditional name: 1,1-diethyl 2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
• Synonyms: Diethyl 2-(4-chlorophenyl)-1,1-cyclopropanedicarboxylate

Database IDs

• CAS Number: 74444-83-0
• MDL Number: MFCD03090782
• PubChem SID: 162044836
• PubChem CID: 2763378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3344293
• LogD (pH = 7.4): 3.3344293
• Log P: 3.3344293
• Molar Refractivity: 74.7449 cm^3
• Polarizability: 29.615969 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%