5'-chloro-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione

• ChemBase ID: 240731
• Molecular Formular: C11H9ClN2O2
• Molecular Mass: 236.65436
• Monoisotopic Mass: 236.03525522
• SMILES: C12(C(=O)NC(=O)N1)c1c(CC2)cc(cc1)Cl
• Canonical SMILES: O=C1NC(=O)C2(N1)CCc1c2ccc(c1)Cl
• InChI: InChI=1S/C11H9ClN2O2/c12-7-1-2-8-6(5-7)3-4-11(8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
• InChIKey: SJSKAURFWDHHOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5'-chloro-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione
• IUPAC Traditional name: 5'-chloro-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione
• Synonyms: 5'-chloro-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione

Database IDs

• MDL Number: MFCD22421781
• PubChem SID: 164296641
• PubChem CID: 56647064

CALCULATED PROPERTIES

• Acid pKa: 9.439732
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6506194
• LogD (pH = 7.4): 1.6467686
• Log P: 1.6506687
• Molar Refractivity: 58.0841 cm^3
• Polarizability: 22.427885 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 252 - 254°C
• Hydrophobicity(logP): 1.624

Product Information

• Purity: 95%