9-[Bromo(phenyl)methylene]-9H-fluorene , CAS No.33735-95-4

CAS: 33735-95-4 Cat. No.: B1307435 Molecular Weight: 333.2 PubChem CID: 2755683

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=C2C3=CC=CC=C3C4=CC=CC=C42)Br
• IUPAC Name: 9-[bromo(phenyl)methylidene]fluorene
• InChIKey: GMFPCFIMQWGRRD-UHFFFAOYSA-N
• INCHI: 1S/C20H13Br/c21-20(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
• Isomeric SMILES: C1=CC=C(C=C1)C(=C2C3=CC=CC=C3C4=CC=CC=C42)Br
• PubChem CID: 2755683
• Molecular Weight: 333.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Benzene and substituted derivatives Vinyl bromides Bromoalkenes Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Monocyclic benzene moiety - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 333.200 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 332.02 Da
• Monoisotopic Mass: 332.02 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 380.000
• 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