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methyl 2-chloroquinazoline-6-carboxylate - 97%, high purity
Basic Description
Synonyms
METHYL 2-CHLOROQUINAZOLINE-6-CARBOXYLATE | 1036755-96-0 | MFCD17016011 | Methyl2-chloroquinazoline-6-carboxylate | SCHEMBL3502450 | DTXSID10725530 | AKOS015949357 | PB13723 | AS-33645 | SY097590 | CS-0049167 | FT-0684819 | A896386 | J-522001 | W-204505
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
2-halopyrimidines Benzenoids Aryl chlorides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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
methyl 2-chloroquinazoline-6-carboxylate
INCHI
InChI=1S/C10H7ClN2O2/c1-15-9(14)6-2-3-8-7(4-6)5-12-10(11)13-8/h2-5H,1H3
InChIKey
NURBZIINUBTMRI-UHFFFAOYSA-N
Smiles
COC(=O)C1=CC2=CN=C(N=C2C=C1)Cl
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
222.630 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
222.02 Da
Monoisotopic Mass
222.02 Da
Topological Polar Surface Area
52.100 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
250.000
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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