Name: 4-(bromomethyl)-4-fluorooxane - ≥97% , CAS No.1240951-88-5
Brand: Aladdin Scientific
SKU: F627668
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Oxanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxanes
Alternative Parents	Oxacyclic compounds Dialkyl ethers Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	197.050 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	195.99 Da
Monoisotopic Mass	195.99 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	91.100
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	C1COCCC1(CBr)F
IUPAC Name	4-(bromomethyl)-4-fluorooxane
InChIKey	MFHKAOIGDZSSCS-UHFFFAOYSA-N
INCHI	1S/C6H10BrFO/c7-5-6(8)1-3-9-4-2-6/h1-5H2
Isómeros SMILES	C1COCCC1(CBr)F
CAS alternativo	1240951-88-5
PubChem CID	121553562
Peso molecular	197.05

4-(bromomethyl)-4-fluorooxane - ≥97% , CAS No.1240951-88-5

Specifications