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7-Fluoroquinazoline-2,4(1H,3H)-dione - 98%, high purity , CAS No.76088-98-7

COA

Grade & Purity:

≥98%

Cas Number: 76088-98-7
Molecular Weight: 180.14
PubChem CID: 12666525
PubChem SID: 504767195

In stock

Item Number

F194941

Grouped product items
SKU	Size	Availability	Price
F194941-250mg	250mg	3	$20.90
F194941-1g	1g	3	$49.90
F194941-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$163.90

Basic Description

Synonyms	7-FLUOROQUINAZOLINE-2,4(1H,3H)-DIONE \| 76088-98-7 \| 7-fluoro-1H-quinazoline-2,4-dione \| 7-fluoroquinazoline-2,4-diol \| MFCD09954843 \| 7-fluoro-1,2,3,4-tetrahydroquinazoline-2,4-dione \| SCHEMBL2536405 \| DTXSID90506208 \| TVXRSUFHSHBLOM-UHFFFAOYSA-N \| 7-Fluoro-2,4-dihydroxyqu
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	Pyrimidones Benzenoids Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
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

Pubchem Sid	504767195
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767195
IUPAC Name	7-fluoro-1H-quinazoline-2,4-dione
INCHI	InChI=1S/C8H5FN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
InChIKey	TVXRSUFHSHBLOM-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1F)NC(=O)NC2=O
Isomeric SMILES	C1=CC2=C(C=C1F)NC(=O)NC2=O
Molecular Weight	180.14
Reaxy-Rn	645492
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=645492&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2127116	Certificate of Analysis	Sep 12, 2024	F194941
K2127144	Certificate of Analysis	Sep 12, 2024	F194941
K2129616	Certificate of Analysis	Sep 12, 2024	F194941

Chemical and Physical Properties

Molecular Weight	180.140 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	180.034 Da
Monoisotopic Mass	180.034 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	257.000
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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