4-chloro-7-fluoropyrrolo[1,2-a]quinoxaline

• ChemBase ID: 164297
• Molecular Formular: C11H6ClFN2
• Molecular Mass: 220.6301432
• Monoisotopic Mass: 220.0203541
• SMILES: c1cc(cc2c1n1c(c(n2)Cl)ccc1)F
• Canonical SMILES: Fc1ccc2c(c1)nc(c1n2ccc1)Cl
• InChI: InChI=1S/C11H6ClFN2/c12-11-10-2-1-5-15(10)9-4-3-7(13)6-8(9)14-11/h1-6H
• InChIKey: NONXBGJFBUNSAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7-fluoropyrrolo[1,2-a]quinoxaline
• IUPAC Traditional name: 4-chloro-7-fluoropyrrolo[1,2-a]quinoxaline
• Synonyms: 4-Chloro-7-fluoro-pyrrolo[1,2-a]quinoxaline; 4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline

Database IDs

• CAS Number: 136773-69-8
• PubChem SID: 162258432
• PubChem CID: 15134082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7637393
• LogD (pH = 7.4): 2.7637393
• Log P: 2.7637393
• Molar Refractivity: 58.022 cm^3
• Polarizability: 23.05023 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Ethyl Acetate; Methanol
• Apperance: Crystalline Solid