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4-chloro-7-iodoquinazoline - 97%, high purity , CAS No.202197-78-2
Discover 4-chloro-7-iodoquinazoline by Aladdin Scientific in 97% for only $618.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-CHLORO-7-IODOQUINAZOLINE | 202197-78-2 | Quinazoline, 4-chloro-7-iodo- | SCHEMBL145141 | DTXSID80619235 | WSSATKKSEZSYAN-UHFFFAOYSA-N | AMY27451 | CIA19778 | MFCD08276179 | AKOS022182724 | SB10036 | AS-38868 | CS-0044967 | A929228
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Halopyrimidines Benzenoids Aryl iodides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Halopyrimidine - Aryl chloride - Aryl halide - Aryl iodide - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organoiodide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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
4-chloro-7-iodoquinazoline
INCHI
InChI=1S/C8H4ClIN2/c9-8-6-2-1-5(10)3-7(6)11-4-12-8/h1-4H
InChIKey
WSSATKKSEZSYAN-UHFFFAOYSA-N
Smiles
C1=CC2=C(C=C1I)N=CN=C2Cl
Isomeric SMILES
C1=CC2=C(C=C1I)N=CN=C2Cl
Molecular Weight
290.49
Reaxy-Rn
14217866
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14217866&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
290.490 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
289.911 Da
Monoisotopic Mass
289.911 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
167.000
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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