ST50264022 , CAS No.5621-60-3

CAS: 5621-60-3 Cat. No.: S1319075 Summenformel: C₁₄H₁₂BrNO Molekulargewicht: 290.15

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Verschickt in

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Namen und Kennungen

• Kanonisches Lächeln: CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)N
• IUPAC Name: (2-amino-5-bromophenyl)-(4-methylphenyl)methanone
• InChIKey: OCHXQKDWNREAJT-UHFFFAOYSA-N
• INCHI: 1S/C14H12BrNO/c1-9-2-4-10(5-3-9)14(17)12-8-11(15)6-7-13(12)16/h2-8H,16H2,1H3
• Molekulargewicht: 290.15

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 Benzoyl derivatives Aniline and substituted anilines Toluenes Bromobenzenes Aryl bromides Vinylogous amides Primary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Aniline or substituted anilines - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Vinylogous amide - Ketone - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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: 290.150 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 289.01 Da
• Monoisotopic Mass: 289.01 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 273.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5621-60-3, the molecular formula is C14H12BrNO, and the molecular weight is 290.15 g/mol. InChIKey OCHXQKDWNREAJT-UHFFFAOYSA-N.

What documentation is provided?

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