Bromo(bromomethoxy)methane , CAS No.4497-29-4

CAS: 4497-29-4 Cat. No.: B1052540 Fórmula: C₂H₄Br₂O Peso molecular: 203.86 Número EC: 860-167-8 PubChem CID: 13349653

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

Sonrisas canónicas

C(OCBr)Br

IUPAC Name

bromo(bromomethoxy)methane

InChIKey

CVDGHGWEHQIJTE-UHFFFAOYSA-N

INCHI

1S/C2H4Br2O/c3-1-5-2-4/h1-2H2

Isómeros SMILES

C(OCBr)Br

PubChem CID

13349653

Peso molecular

203.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Organooxygen compounds Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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: 203.860 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 203.861 Da
• Monoisotopic Mass: 201.863 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 15.100
• 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