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27610-62-4 | 9H-Purine, 8-bromo-
CAS No: 27610-62-4 Catalog No: AG002U8G MDL No:
Product Description
Catalog Number:
AG002U8G
Chemical Name:
9H-Purine, 8-bromo-
CAS Number:
27610-62-4
Molecular Formula:
C5H3BrN4
Molecular Weight:
199.0081
IUPAC Name:
8-bromo-7H-purine
InChI:
InChI=1S/C5H3BrN4/c6-5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H,7,8,9,10)
InChI Key:
CVSGHIRICCUQKF-UHFFFAOYSA-N
SMILES:
Brc1nc2c([nH]1)ncnc2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.011g/mol
Monoisotopic Mass:
197.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Stereoselective preparation of (RP)-8-hetaryladenosine-3',5'-cyclic phosphorothioic acids. | Organic & biomolecular chemistry 20070707 |
| Efficient syntheses of C(8)-aryl adducts of adenine and guanine formed by reaction of radical cation metabolites of carcinogenic polycyclic aromatic hydrocarbons with DNA. | The Journal of organic chemistry 20070622 |
| Chemical radiation studies of 8-bromo-2'-deoxyinosine and 8-bromoinosine in aqueous solutions. | Chemistry (Weinheim an der Bergstrasse, Germany) 20061010 |
| Synthesis of 8-amino and 8-substituted amino derivatives of acyclic purine nucleoside and nucleotide analogs. Alkylation of 8-substituted purine bases. | Nucleosides, nucleotides & nucleic acids 20010101 |
| Purine analogs as potential anticytomegalovirus agents. | Proceedings of the Society for Experimental Biology and Medicine. Society for Experimental Biology and Medicine (New York, N.Y.) 19690901 |
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