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8-bromo-6-chloro-9H-purine - 97%, high purity , CAS No.914220-07-8
Basic Description
Synonyms
8-bromo-6-chloro-9H-purine | 914220-07-8 | 8-bromo-6-chloro-7H-purine | SCHEMBL10910539 | SCHEMBL17289600 | DTXSID90647983 | CNMGUMAFDFJHRV-UHFFFAOYSA-N | AMY12326 | MFCD09029721 | AKOS015962547 | SB11867 | PS-15423 | CS-0049957 | A860463
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Purines and purine derivatives
Alternative Parents
Halopyrimidines Aryl chlorides Aryl bromides Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purine - Halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
8-bromo-6-chloro-7H-purine
INCHI
InChI=1S/C5H2BrClN4/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H,8,9,10,11)
InChIKey
CNMGUMAFDFJHRV-UHFFFAOYSA-N
Smiles
C1=NC2=C(C(=N1)Cl)NC(=N2)Br
Isomeric SMILES
C1=NC2=C(C(=N1)Cl)NC(=N2)Br
Molecular Weight
233.45
Reaxy-Rn
47446759
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47446759&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
233.450 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
231.915 Da
Monoisotopic Mass
231.915 Da
Topological Polar Surface Area
54.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
157.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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