Kanonisches Lächeln	CC1CCCCC1Br
IUPAC Name	1-bromo-2-methylcyclohexane
InChIKey	KWQRRNDZNAXRGO-UHFFFAOYSA-N
INCHI	1S/C7H13Br/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3
Molekulargewicht	177.08

Documentation

📋 Safety Data Sheet (SDS)

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Klasse Alkyl halides
    - Subclass Cyclohexyl halides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Klasse	Alkyl halides
Subclass	Cyclohexyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Cyclohexyl halides
Alternative Parents	Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexyl halide - Hydrocarbon derivative - Organobromide - Alkyl bromide - Aliphatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
External Descriptors	Not available
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

3D-Struktur

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Chemische und physikalische Eigenschaften

Molekulargewicht	177.080 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	176.02 Da
Monoisotopic Mass	176.02 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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Cyclohexane, 1-bromo-2-methyl- - ≥95% , CAS No.6294-39-9

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