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2-Fluoro-5-((4-oxo-3，4-dihydrophthalazin-1-yl)methyl)benzonitrile - ≥97%, high purity , CAS No.1021298-68-9

COA

Grade & Purity:

≥97%

Cas Number: 1021298-68-9
Molecular Weight: 279.27
PubChem CID: 24811739

In stock

Item Number

F731416

Grouped product items
SKU	Size	Availability	Price
F731416-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
F731416-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90
F731416-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$214.90
F731416-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$818.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Phthalazines
        Level6 Phthalazinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Phthalazines
Direct Parent	Phthalazinones
Alternative Parents	Benzonitriles Pyridazinones Fluorobenzenes Aryl fluorides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalazinone - Benzonitrile - Fluorobenzene - Halobenzene - Pyridazinone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridazine - Heteroaromatic compound - Lactam - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone 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

Names and Identifiers

IUPAC Name	2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile
INCHI	InChI=1S/C16H10FN3O/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(21)20-19-15/h1-7H,8H2,(H,20,21)
InChIKey	LCPWJQRZOHAMOZ-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)C#N
Isomeric SMILES	C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)C#N
PubChem CID	24811739
Molecular Weight	279.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	279.270 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	279.081 Da
Monoisotopic Mass	279.081 Da
Topological Polar Surface Area	65.300 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	495.000
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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