GRADE & PURITY ≥96%

Synonyms

AKOS005067022 | 2-QUINAZOLINECARBOXYLIC ACID, 4-CHLORO-, ETHYL ESTER | AB17516 | DTXSID20392838 | MFCD04107645 | J-521001 | A849484 | EN300-62924 | Ethyl 4-chloroquinazoline-2-carboxylate | Z988984042 | AC2318 | AC-26858 | SY005039 | FT-0645523 | ZMAJSODA

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS005067022 | 2-QUINAZOLINECARBOXYLIC ACID, 4-CHLORO-, ETHYL ESTER | AB17516 | DTXSID20392838 | MFCD04107645 | J-521001 | A849484 | EN300-62924 | Ethyl 4-chloroquinazoline-2-carboxylate | Z988984042 | AC2318 | AC-26858 | SY005039 | FT-0645523 | ZMAJSODA

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488194419
• Sonrisas canónicas: CCOC(=O)C1=NC2=CC=CC=C2C(=N1)Cl
• IUPAC Name: ethyl 4-chloroquinazoline-2-carboxylate
• InChIKey: ZMAJSODACDWUAS-UHFFFAOYSA-N
• INCHI: 1S/C11H9ClN2O2/c1-2-16-11(15)10-13-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C1=NC2=CC=CC=C2C(=N1)Cl
• Peso molecular: 236.66
• Reaxy-Rn: 651363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=651363&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidinecarboxylic acids Halopyrimidines Benzenoids Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidine-2-carboxylic acid - Pyrimidine-2-carboxylic acid or derivatives - Halopyrimidine - Aryl chloride - Benzenoid - Aryl halide - Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de fusión (°C): 100-101°
• Peso molecular: 236.650 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.035 Da
• Monoisotopic Mass: 236.035 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 262.000
• 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