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3-(4-Bromophenyl)-7-hydroxy-4H-chromen-4-one - ≥95%, high purity , CAS No.96644-05-2

COA

Grade & Purity:

≥95%

Cas Number: 96644-05-2
Molecular Weight: 317.13
PubChem CID: 5398367

In stock

Item Number

H709742

Grouped product items
SKU	Size	Availability	Price
H709742-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$312.90
H709742-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$532.90
H709742-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,435.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Isoflavonoids
    - Subclass Isoflav-2-enes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Isoflavonoids
Subclass	Isoflav-2-enes
Intermediate Tree Nodes	Not available
Direct Parent	Isoflavones
Alternative Parents	Hydroxyisoflavonoids Chromones Pyranones and derivatives Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Pyranone - Pyran - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon 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

Names and Identifiers

IUPAC Name	3-(4-bromophenyl)-7-hydroxychromen-4-one
INCHI	InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,17H
InChIKey	NGCRKXKWFTUSKG-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)Br
Isomeric SMILES	C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)Br
PubChem CID	5398367
Molecular Weight	317.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	317.130 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	315.974 Da
Monoisotopic Mass	315.974 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	385.000
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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3-(4-Bromophenyl)-7-hydroxy-4H-chromen-4-one - ≥95%, high purity , CAS No.96644-05-2

Basic Description