4-(2-Chlorophenyl)oxane-4-carbaldehyde - ≥95% , CAS No.902836-47-9

CAS: 902836-47-9 Cat. No.: C1014403 Formula: C₁₂H₁₃ClO₂ Peso molecolare: 224.680 Numero EC: 677-303-5

QUALITÀ & PUREZZA ≥95%

Storage

Room temperature

Specifiche

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1COCCC1(C=O)C2=CC=CC=C2Cl

IUPAC Name

4-(2-chlorophenyl)oxane-4-carbaldehyde

InChIKey

VLDLOMXOOPWPHR-UHFFFAOYSA-N

INCHI

1S/C12H13ClO2/c13-11-4-2-1-3-10(11)12(9-14)5-7-15-8-6-12/h1-4,9H,5-8H2

Peso molecolare

224.680

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetaldehydes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetaldehydes
• Alternative Parents: Chlorobenzenes Oxanes Aryl chlorides Oxacyclic compounds Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetaldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Oxane - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Aldehyde - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
• 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: 224.680 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.06 Da
• Monoisotopic Mass: 224.06 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 224.000
• 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