(2-Bromo-6-nitrophenethoxy)(tert-butyl)dimethylsilane , CAS No.1227958-15-7

CAS: 1227958-15-7 Cat. No.: B1278350 Peso molecular: 360.33 PubChem CID: 71299186

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)[Si](C)(C)OCCC1=C(C=CC=C1Br)[N+](=O)[O-]
• IUPAC Name: 2-(2-bromo-6-nitrophenyl)ethoxy-tert-butyl-dimethylsilane
• InChIKey: DGEQRGHOYGSUFX-UHFFFAOYSA-N
• INCHI: 1S/C14H22BrNO3Si/c1-14(2,3)20(4,5)19-10-9-11-12(15)7-6-8-13(11)16(17)18/h6-8H,9-10H2,1-5H3
• Isómeros SMILES: CC(C)(C)[Si](C)(C)OCCC1=C(C=CC=C1Br)[N+](=O)[O-]
• PubChem CID: 71299186
• Peso molecular: 360.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Bromobenzenes Aryl bromides Trialkylheterosilanes Silyl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Trialkylheterosilane - C-nitro compound - Silyl ether - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic metalloid salt - Organoheterosilane - Organic oxoazanium - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organobromide - Organosilicon compound - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

• Peso molecular: 360.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 359.055 Da
• Monoisotopic Mass: 359.055 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 338.000
• 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

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