4-Bromo-1-indanone - ≥97% , CAS No.15115-60-3

CAS: 15115-60-3 Cat. No.: B119745 Formula: C₉H₇BrO Peso molecolare: 211.06 Numero EC: 628-019-5

GRADE & PURITY ≥97%

Synonyms

F68K258XWL | 4-Tert-Butyl-N-[2-Methyl-3-(4-Methyl-6-{[4-(Morpholin-4-Ylcarbonyl)phenyl]amino}-5-Oxo-4,5-Dihydropyrazin-2-Yl)phenyl]benzamide | PB19935 | SY017585 | SCHEMBL163925 | STL555867 | 4-bromo indanone | TILDIPIROSIN COMPONENT OF ZUPREVO | W-201347

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

F68K258XWL | 4-Tert-Butyl-N-[2-Methyl-3-(4-Methyl-6-{[4-(Morpholin-4-Ylcarbonyl)phenyl]amino}-5-Oxo-4,5-Dihydropyrazin-2-Yl)phenyl]benzamide | PB19935 | SY017585 | SCHEMBL163925 | STL555867 | 4-bromo indanone | TILDIPIROSIN COMPONENT OF ZUPREVO | W-201347

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488187142

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187142

Sorrisi canonici

C1CC(=O)C2=C1C(=CC=C2)Br

IUPAC Name

4-bromo-2,3-dihydroinden-1-one

InChIKey

UVVYFYLSZIMKMC-UHFFFAOYSA-N

INCHI

1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2

Isomeri SMILES

C1CC(=O)C2=C1C(=CC=C2)Br

WGK Germania

2

RTECS

NK7536100

Peso molecolare

211.06

Reaxy-Rn

2044194

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044194&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Aryl halide - Aryl bromide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• 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

Obiettivi associati (non umani)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 125 °C/1.5 mmHg
• Punto di fusione (°C): 95-99°C
• Peso molecolare: 211.050 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.968 Da
• Monoisotopic Mass: 209.968 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 178.000
• 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