8-Bromo-3-methyl-xanthine
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8-Bromo-3-methyl-xanthine
structure -
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CAS No:
93703-24-3
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Formula:
C6H5BrN4O2
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Chemical Name:
8-Bromo-3-methyl-xanthine
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Synonyms:
3-Methyl-8-broMoxanthine;8-Bromo 2-methyl xanthine;8-Bromo-3-methyl-xanthine;8-broMo-3-Methyl-1H-purine-2,6(3H,7H);8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione;8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione;1H-Purine-2,6-dione,8-broMo-3,9-dihydro-3-Methyl-;1H-purine-2,6-dione, 8-broMo-3,7-dihydro-3-Methyl-;8-Bromo-3-methylxanthine 8-Bromo-3-methyl-3,7-dihydropurine-2,6-dione
- Categories:
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CAS No:
8-Bromo-3-methyl-xanthine Basic Attributes
245.0335
243.959579
1312995-182-4
DTXSID50364285
2933990090
Safety Information
22
26-36/37/39
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:245.03
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:243.95959
Monoisotopic Mass:243.95959
Topological Polar Surface Area:78.1
Heavy Atom Count:13
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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