7,8-dichloro-2H,3H-[1,4]dioxino[2,3-g]quinoxaline

• ChemBase ID: 232630
• Molecular Formular: C10H6Cl2N2O2
• Molecular Mass: 257.07284
• Monoisotopic Mass: 255.9806328
• SMILES: n1c(c(nc2c1cc1c(c2)OCCO1)Cl)Cl
• Canonical SMILES: Clc1nc2cc3OCCOc3cc2nc1Cl
• InChI: InChI=1S/C10H6Cl2N2O2/c11-9-10(12)14-6-4-8-7(3-5(6)13-9)15-1-2-16-8/h3-4H,1-2H2
• InChIKey: DNKJBNFYZKYVGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dichloro-2H,3H-[1,4]dioxino[2,3-g]quinoxaline
• IUPAC Traditional name: 7,8-dichloro-2H,3H-[1,4]dioxino[2,3-g]quinoxaline
• Synonyms: 7,8-dichloro-2,3-dihydro[1,4]dioxino[2,3-g]quinoxaline

Database IDs

• MDL Number: MFCD04618167
• PubChem SID: 164288540
• PubChem CID: 3863900

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4606545
• LogD (pH = 7.4): 2.4606545
• Log P: 2.4606545
• Molar Refractivity: 60.14 cm^3
• Polarizability: 24.325354 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.284

Product Information

• Purity: 95%