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6-Bromoisochroman-4-one - 97%, high purity , CAS No.676134-68-2

COA

Grade & Purity:

≥97%

Cas Number: 676134-68-2
Molecular Weight: 227.06
PubChem CID: 45489802

In stock

Item Number

B194539

Grouped product items
SKU	Size	Availability	Price
B194539-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$30.90
B194539-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90
B194539-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$900.90

Discover 6-Bromoisochroman-4-one by Aladdin Scientific in 97% for only $30.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	6-Bromoisochroman-4-one \| 676134-68-2 \| 6-Bromo-4-Isochromanone \| 6-bromo-1H-isochromen-4-one \| 6-Bromo-isochroman-4-one \| 1H-2-Benzopyran-4(3H)-one, 6-bromo- \| 6-bromo-3,4-dihydro-1H-2-benzopyran-4-one \| 6-bromo-isochromen-4-one \| SCHEMBL3174866 \| DTXSID80670467 \| KOROTCDTJ
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 2-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	2-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	2-benzopyrans
Alternative Parents	Aryl alkyl ketones Benzenoids Aryl bromides Oxacyclic compounds Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-benzopyran - Aryl alkyl ketone - Aryl ketone - Aryl bromide - Aryl halide - Benzenoid - Ketone - Dialkyl ether - Ether - Oxacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.
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

Names and Identifiers

IUPAC Name	6-bromo-1H-isochromen-4-one
INCHI	InChI=1S/C9H7BrO2/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3H,4-5H2
InChIKey	KOROTCDTJPLXMA-UHFFFAOYSA-N
Smiles	C1C2=C(C=C(C=C2)Br)C(=O)CO1
Isomeric SMILES	C1C2=C(C=C(C=C2)Br)C(=O)CO1
Molecular Weight	227.06
Reaxy-Rn	14464440
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14464440&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.050 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	225.963 Da
Monoisotopic Mass	225.963 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193.000
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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