Name: 2-bromo-3-methoxy-cyclopent-2-en-1-one - ≥97% , CAS No.14203-25-9
Brand: Aladdin Scientific
SKU: B629055
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Alpha-haloketones
Alternative Parents	Vinylogous esters Cyclic ketones Vinyl bromides Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alpha-haloketone - Vinylogous ester - Cyclic ketone - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group.
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 Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.020 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.963 Da
Monoisotopic Mass	189.963 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	172.000
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

Solution Calculators

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Reviews

Canonical Smiles	COC1=C(C(=O)CC1)Br
IUPAC Name	2-bromo-3-methoxycyclopent-2-en-1-one
InChIKey	RKDVAJMYDPQTFK-UHFFFAOYSA-N
INCHI	1S/C6H7BrO2/c1-9-5-3-2-4(8)6(5)7/h2-3H2,1H3
Isomeric SMILES	COC1=C(C(=O)CC1)Br
Alternate CAS	14203-25-9
PubChem CID	11095426
Molecular Weight	191.02

2-bromo-3-methoxy-cyclopent-2-en-1-one - ≥97% , CAS No.14203-25-9

Specifications