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2-Benzyl-5-iodopyridazin-3(2H)-one - ≥95%, high purity , CAS No.825633-93-0

COA

Grade & Purity:

≥95%

Cas Number: 825633-93-0
PubChem CID: 46942145

In stock

Item Number

B732927

Grouped product items
SKU	Size	Availability	Price	Qty
B732927-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,029.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyridazines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyridazines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridazinones
Alternative Parents	Benzene and substituted derivatives Aryl iodides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridazinone - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.
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-benzyl-5-iodopyridazin-3-one
INCHI	InChI=1S/C11H9IN2O/c12-10-6-11(15)14(13-7-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey	LLOBDGYMMSDMEV-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CN2C(=O)C=C(C=N2)I
Isomeric SMILES	C1=CC=C(C=C1)CN2C(=O)C=C(C=N2)I
PubChem CID	46942145

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	312.110 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	311.976 Da
Monoisotopic Mass	311.976 Da
Topological Polar Surface Area	32.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	306.000
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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