2-chloro-8-methoxyquinazoline - ≥97% , CAS No.944060-66-6

CAS: 944060-66-6 Cat. No.: C680443 Fórmula: C₉H₇ClN₂O Peso molecular: 194.62

GRAU & PUREZA ≥97%

Synonyms

2-Chloro-8-Methoxyquinazoline | 2-Chloro-8-Methoxy-quinazoline

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

2-Chloro-8-Methoxyquinazoline | 2-Chloro-8-Methoxy-quinazoline

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

COC1=CC=CC2=CN=C(N=C21)Cl

IUPAC Name

2-chloro-8-methoxyquinazoline

InChIKey

OENQTKSMBDNMQX-UHFFFAOYSA-N

INCHI

1S/C9H7ClN2O/c1-13-7-4-2-3-6-5-11-9(10)12-8(6)7/h2-5H,1H3

SMILES isoméricas

COC1=CC=CC2=CN=C(N=C21)Cl

CAS alternativo

944060-66-6

Peso molecular

194.62

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Anisoles Alkyl aryl ethers 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Anisole - Phenol ether - Alkyl aryl ether - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Ether - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 194.620 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.025 Da
• Monoisotopic Mass: 194.025 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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