8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione

Base Information

• Chemical Name: 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
• CAS No.: 115415-41-3
• Molecular Formula: C₈H₈BrClN₄O₂
• Molecular Weight: 307.534
• DSSTox Substance ID: DTXSID50356943
• Wikidata: Q82136585
• Mol file: 115415-41-3.mol

Synonyms:115415-41-3;8-bromo-7-(2-chloroethyl)-3-methylpurine-2,6-dione;8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione;8-bromo-7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione;DTXSID50356943;STK834108;AKOS000716378;CS-0329535;VU0510982-1;AG-690/36538032;SR-01000311277;SR-01000311277-1;F3164-0657;Z274627734

Chemical Property of 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 305.95192
• Heavy Atom Count: 16
• Complexity: 329

Purity/Quality:

8-BROMO-7-(2-CHLORO-ETHYL)-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCl