ethyl 4,6-dichloroquinazoline-2-carboxylate

• ChemBase ID: 802362
• Molecular Formular: C11H8Cl2N2O2
• Molecular Mass: 271.09942
• Monoisotopic Mass: 269.99628287
• SMILES: c1(ccc2nc(nc(c2c1)Cl)C(=O)OCC)Cl
• Canonical SMILES: CCOC(=O)c1nc(Cl)c2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C11H8Cl2N2O2/c1-2-17-11(16)10-14-8-4-3-6(12)5-7(8)9(13)15-10/h3-5H,2H2,1H3
• InChIKey: NOPBSKCNIZYGHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4,6-dichloroquinazoline-2-carboxylate
• IUPAC Traditional name: ethyl 4,6-dichloroquinazoline-2-carboxylate
• Synonyms: ETHYL 4,6-DICHLOROQUINAZOLINE-2-CARBOXYLATE

Database IDs

• CAS Number: 150449-99-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5561204
• LogD (pH = 7.4): 3.5561204
• Log P: 3.5561204
• Molar Refractivity: 65.9062 cm^3
• Polarizability: 26.18431 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%