4-((2,4-Dichlorophenyl)methoxy)-3-methoxybenzaldehyde - ≥97% , CAS No.342592-68-1

CAS: 342592-68-1 Cat. No.: D1070676 EC 번호: 997-106-0 PubChem CID: 735462

등급 & 순도 ≥97%

Storage

Room temperature

사양

사양 및 순도

≥97%

보관 조건

Room temperature

순수함

≥97%

이름과 식별자

정식 스마일

COC1=C(C=CC(=C1)C=O)OCC2=C(C=C(C=C2)Cl)Cl

IUPAC Name

4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde

InChIKey

INKHIZKVRPGGLJ-UHFFFAOYSA-N

INCHI

1S/C15H12Cl2O3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-3-4-12(16)7-13(11)17/h2-8H,9H2,1H3

이성체 SMILES

COC1=C(C=CC(=C1)C=O)OCC2=C(C=C(C=C2)Cl)Cl

PubChem CID

735462

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Benzaldehydes Anisoles Alkyl aryl ethers Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Phenol ether - Benzoyl - 1,3-dichlorobenzene - Alkyl aryl ether - Aryl-aldehyde - Aryl chloride - Aryl halide - Ether - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

화학 및 물리적 특성

• 분자량: 311.200 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 310.016 Da
• Monoisotopic Mass: 310.016 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 313.000
• 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