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4-chloro-6-methoxyquinazolin-7-ol - 97%, high purity , CAS No.263400-68-6
Discover 4-chloro-6-methoxyquinazolin-7-ol by Aladdin Scientific in 97% for only $3,153.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-chloro-6-methoxyquinazolin-7-ol | 263400-68-6 | 4-CHLORO-7-HYDROXY-6-METHOXYQUINAZOLINE | 7-Quinazolinol, 4-chloro-6-methoxy- | 4-CHLORO-6-METHOXY-QUINAZOLIN-7-OL | MFCD17016135 | 4-chloro-6-methoxy-3H-quinazolin-7-one | SCHEMBL296984 | BXRGTEOKLSVMJU-UHFFFAOYSA-N | DTXS
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
Anisoles Halopyrimidines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Halopyrimidine - Alkyl aryl ether - Benzenoid - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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-6-methoxyquinazolin-7-ol
INCHI
InChI=1S/C9H7ClN2O2/c1-14-8-2-5-6(3-7(8)13)11-4-12-9(5)10/h2-4,13H,1H3
InChIKey
BXRGTEOKLSVMJU-UHFFFAOYSA-N
Smiles
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)O
Isomeric SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)O
Molecular Weight
210.62
Reaxy-Rn
11404015
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11404015&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
210.620 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
210.02 Da
Monoisotopic Mass
210.02 Da
Topological Polar Surface Area
55.200 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
205.000
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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