2-(3-Bromophenyl)-9,9-dimethyl-9H-fluorene - ≥98% , CAS No.881912-14-7

CAS: 881912-14-7 Cat. No.: B405442 Peso molecular: 349.27

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201892
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201892
• Sonrisas canónicas: CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC(=CC=C4)Br)C
• IUPAC Name: 2-(3-bromophenyl)-9,9-dimethylfluorene
• InChIKey: DOCPABXUROJRDW-UHFFFAOYSA-N
• INCHI: 1S/C21H17Br/c1-21(2)19-9-4-3-8-17(19)18-11-10-15(13-20(18)21)14-6-5-7-16(22)12-14/h3-13H,1-2H3
• Isómeros SMILES: CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC(=CC=C4)Br)C
• Peso molecular: 349.27
• Reaxy-Rn: 23325529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23325529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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): 110 °C
• Peso molecular: 349.300 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 348.051 Da
• Monoisotopic Mass: 348.051 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 401.000
• 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