2-chloro-9,10-dihydroacridin-9-one

• ChemBase ID: 294254
• Molecular Formular: C13H8ClNO
• Molecular Mass: 229.66172
• Monoisotopic Mass: 229.02944156
• SMILES: O=c1c2c(cccc2)[nH]c2ccc(Cl)cc12
• Canonical SMILES: Clc1ccc2c(c1)c(=O)c1c([nH]2)cccc1
• InChI: InChI=1S/C13H8ClNO/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,(H,15,16)
• InChIKey: WNLFUMVKGWEXBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-9,10-dihydroacridin-9-one
• IUPAC Traditional name: 2-chloro-10H-acridin-9-one
• Synonyms: 2-Chloroacridin-9(10H)-one

Database IDs

• CAS Number: 7497-52-1
• MDL Number: MFCD00223258
• PubChem SID: 180679785
• PubChem CID: 437003

CALCULATED PROPERTIES

• Acid pKa: 16.371037
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.8033233
• LogD (pH = 7.4): 4.8033233
• Log P: 4.8033233
• Molar Refractivity: 63.8665 cm^3
• Polarizability: 24.235767 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%