3,4',5-Trichlorobenzophenone - ≥95% , CAS No.13395-65-8

CAS: 13395-65-8 Cat. No.: T1328917 Summenformel: C₁₃H₇Cl₃O Molekulargewicht: 285.55 PubChem CID: 2760684

QUALITÄT & REINHEIT ≥95%

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=CC=C1C(=O)C2=CC(=CC(=C2)Cl)Cl)Cl

IUPAC Name

(4-chlorophenyl)-(3,5-dichlorophenyl)methanone

InChIKey

BJPFNIYUGJARNB-UHFFFAOYSA-N

INCHI

1S/C13H7Cl3O/c14-10-3-1-8(2-4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7H

Isomere SMILES

C1=CC(=CC=C1C(=O)C2=CC(=CC(=C2)Cl)Cl)Cl

PubChem CID

2760684

Molekulargewicht

285.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Dichlorobenzenes Benzoyl derivatives Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - 1,3-dichlorobenzene - Aryl ketone - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Ketone - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 285.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 283.956 Da
• Monoisotopic Mass: 283.956 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 264.000
• 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