9-Benzoyl-3-bromo-9H-carbazole - ≥98% , CAS No.177775-87-0

CAS: 177775-87-0 Cat. No.: B152004 Peso molecular: 350.22

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201934
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201934
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)Br)C4=CC=CC=C42
• IUPAC Name: (3-bromocarbazol-9-yl)-phenylmethanone
• InChIKey: CSLLZWBWBQIUIG-UHFFFAOYSA-N
• INCHI: 1S/C19H12BrNO/c20-14-10-11-18-16(12-14)15-8-4-5-9-17(15)21(18)19(22)13-6-2-1-3-7-13/h1-12H
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)Br)C4=CC=CC=C42
• Peso molecular: 350.22
• Reaxy-Rn: 240650
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=240650&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Benzoylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Benzoylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoylindoles
• Alternative Parents: Carbazoles Indolecarboxylic acids and derivatives Indoles Benzoic acids and derivatives Benzoyl derivatives Substituted pyrroles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoylindole - Carbazole - Indolecarboxylic acid derivative - Benzoic acid or derivatives - Indole - Benzoyl - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl 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

Propiedades químicas y físicas

• Punto de fusión (°C): 122 °C
• Peso molecular: 350.200 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 349.01 Da
• Monoisotopic Mass: 349.01 Da
• Topological Polar Surface Area: 22.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 420.000
• 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