2'-chloro-7',8'-dihydro-5'H-spiro[1,3-dioxolane-2,6'-quinazoline]

• ChemBase ID: 814101
• Molecular Formular: C10H11ClN2O2
• Molecular Mass: 226.65954
• Monoisotopic Mass: 226.05090528
• SMILES: O1C2(OCC1)CCc1nc(ncc1C2)Cl
• Canonical SMILES: Clc1ncc2c(n1)CCC1(C2)OCCO1
• InChI: InChI=1S/C10H11ClN2O2/c11-9-12-6-7-5-10(14-3-4-15-10)2-1-8(7)13-9/h6H,1-5H2
• InChIKey: DUZBCEKGUJTLFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2'-chloro-7',8'-dihydro-5'H-spiro[1,3-dioxolane-2,6'-quinazoline]
• IUPAC Traditional name: 2'-chloro-7',8'-dihydro-5'H-spiro[1,3-dioxolane-2,6'-quinazoline]
• Synonyms: 2'-chloro-7',8'-dihydro-5'H-spiro[[1,3]dioxolane-2,6'-quinazoline]

Database IDs

• CAS Number: 1196147-79-1

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3653784
• LogD (pH = 7.4): 1.3653785
• Log P: 1.3653785
• Molar Refractivity: 56.1703 cm^3
• Polarizability: 21.442104 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%