6，7-Dichlorochroman-4-one - ≥97% , CAS No.27407-06-3

CAS: 27407-06-3 Cat. No.: D727005 Formula: C₉H₆Cl₂O₂ Peso molecolare: 217.05 Numero EC: 821-573-0 PubChem CID: 12664408

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1COC2=CC(=C(C=C2C1=O)Cl)Cl

IUPAC Name

6,7-dichloro-2,3-dihydrochromen-4-one

InChIKey

KKDHVYHUAYOZCR-UHFFFAOYSA-N

INCHI

1S/C9H6Cl2O2/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4H,1-2H2

Isomeri SMILES

C1COC2=CC(=C(C=C2C1=O)Cl)Cl

PubChem CID

12664408

Peso molecolare

217.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl chlorides Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Ketone - Ether - Oxacycle - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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: 217.050 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 215.974 Da
• Monoisotopic Mass: 215.974 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 220.000
• 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