2,6-Dichloro-9-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-9H-purine

Base Information

• Chemical Name: 2,6-Dichloro-9-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-9H-purine
• CAS No.: 918304-36-6
• Molecular Formula: C14H10Cl2N4O2
• ChEMBL ID: CHEMBL258058
• DSSTox Substance ID: DTXSID10583056
• Nikkaji Number: J2.395.669A

Synonyms:918304-36-6;2,6-dichloro-9-(3,5-dihydro-2H-benzo[e][1,4]dioxepin-3-yl)-9H-purine;2,6-Dichloro-9-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-9H-purine;CHEMBL258058;DTXSID10583056

Chemical Property of 2,6-Dichloro-9-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-9H-purine

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 336.0180810
• Heavy Atom Count: 22
• Complexity: 405

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OCC2=CC=CC=C2O1)N3C=NC4=C3N=C(N=C4Cl)Cl

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