Home Other Building Blocks 8-CHLOROADENINE

8-CHLOROADENINE

CAS No.:
28128-28-1
Catalog Number:
AG00BDZF
Molecular Formula:
C5H4ClN5
Molecular Weight:
169.5718
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Product Description
Catalog Number:
AG00BDZF
Chemical Name:
8-CHLOROADENINE
CAS Number:
28128-28-1
Molecular Formula:
C5H4ClN5
Molecular Weight:
169.5718
MDL Number:
MFCD04118031
IUPAC Name:
8-chloro-7H-purin-6-amine
InChI:
InChI=1S/C5H4ClN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
InChI Key:
FBVALAOQISRDRY-UHFFFAOYSA-N
SMILES:
Clc1nc2c([nH]1)c(N)ncn2
NSC Number:
22712
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.016g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.572g/mol
Monoisotopic Mass:
169.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Myeloperoxidase-derived oxidation: mechanisms of biological damage and its prevention. Journal of clinical biochemistry and nutrition 20110101
[Markers of chloric acid (I) in biological systems--identification and properties]. Postepy biochemii 20100101
Detection of chlorinated DNA and RNA nucleosides by HPLC coupled to tandem mass spectrometry as potential biomarkers of inflammation. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20051115
Synthesis and hybridization properties of RNA containing 8-chloroadenosine. Nucleosides, nucleotides & nucleic acids 20020101
Properties