9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate - ≥97% , CAS No.562827-16-1

CAS: 562827-16-1 Cat. No.: H634122 Molecular Weight: 400.27 PubChem CID: 67369532

GRADE & PURITY ≥97%

Synonyms

562827-16-1 | (9H-Fluoren-9-yl)methyl 3-bromo-4-oxopiperidine-1-carboxylate | 9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate | SCHEMBL2339165 | 1-Fmoc-3-bromo-4-oxopiperidine | MFCD09953305 | PB43065 | BS-43634 | D78845 | (9H-Fluoren-9-yl)met

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

562827-16-1 | (9H-Fluoren-9-yl)methyl 3-bromo-4-oxopiperidine-1-carboxylate | 9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate | SCHEMBL2339165 | 1-Fmoc-3-bromo-4-oxopiperidine | MFCD09953305 | PB43065 | BS-43634 | D78845 | (9H-Fluoren-9-yl)met

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CN(CC(C1=O)Br)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: 9H-fluoren-9-ylmethyl 3-bromo-4-oxopiperidine-1-carboxylate
• InChIKey: AOMYTMXBSGKEDQ-UHFFFAOYSA-N
• INCHI: 1S/C20H18BrNO3/c21-18-11-22(10-9-19(18)23)20(24)25-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2
• Isomeric SMILES: C1CN(CC(C1=O)Br)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• PubChem CID: 67369532
• Molecular Weight: 400.27

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: Piperidinecarboxylic acids Piperidinones Carbamate esters Alpha-haloketones Cyclic ketones Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Piperidinecarboxylic acid - Piperidinone - Piperidine - Alpha-haloketone - Carbamic acid ester - Ketone - Cyclic ketone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl bromide - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic heteropolycyclic 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: 400.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 399.047 Da
• Monoisotopic Mass: 399.047 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 503.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1