Phenol, 4,4'-(9H-fluoren-9-ylidene)bis[2,6-dibromo- - ≥98% , CAS No.94854-03-2

CAS: 94854-03-2 Cat. No.: P1052592 Peso molecular: 666.000

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=C(C(=C4)Br)O)Br)C5=CC(=C(C(=C5)Br)O)Br
• IUPAC Name: 2,6-dibromo-4-[9-(3,5-dibromo-4-hydroxyphenyl)fluoren-9-yl]phenol
• InChIKey: VYTXKAABSCYYEU-UHFFFAOYSA-N
• INCHI: 1S/C25H14Br4O2/c26-19-9-13(10-20(27)23(19)30)25(14-11-21(28)24(31)22(29)12-14)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12,30-31H
• Peso molecular: 666.000

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: O-bromophenols Bromobenzenes Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - 2-bromophenol - 2-halophenol - Phenol - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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

• Peso molecular: 666.000 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 665.769 Da
• Monoisotopic Mass: 661.773 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 569.000
• 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