5-Bromo-2-(2-methoxyethoxy)pyridine - ≥97% , CAS No.212961-29-0

CAS: 212961-29-0 Cat. No.: B735233 Formula: C₈H₁₀BrNO₂ Peso molecolare: 232.07 PubChem CID: 22502717

GRADE & PURITY ≥97%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: COCCOC1=NC=C(C=C1)Br
• IUPAC Name: 5-bromo-2-(2-methoxyethoxy)pyridine
• InChIKey: SSLGCBWBEBJXFC-UHFFFAOYSA-N
• INCHI: 1S/C8H10BrNO2/c1-11-4-5-12-8-3-2-7(9)6-10-8/h2-3,6H,4-5H2,1H3
• Isomeri SMILES: COCCOC1=NC=C(C=C1)Br
• PubChem CID: 22502717
• Peso molecolare: 232.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Aryl bromides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Dialkyl ether - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 232.070 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.989 Da
• Monoisotopic Mass: 230.989 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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