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2-(Pyridin-4-Yl)-1H-Benzo[D]Imidazole-7-Carboxylic Acid - ≥96%, high purity , CAS No.124340-93-8

COA

Grade & Purity:

≥96%

Cas Number: 124340-93-8
PubChem CID: 11207170

In stock

Item Number

H725701

Grouped product items
SKU	Size	Availability	Price	Qty
H725701-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$499.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	Pyridines and derivatives Benzenoids Imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
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-pyridin-4-yl-1H-benzimidazole-4-carboxylic acid
INCHI	InChI=1S/C13H9N3O2/c17-13(18)9-2-1-3-10-11(9)16-12(15-10)8-4-6-14-7-5-8/h1-7H,(H,15,16)(H,17,18)
InChIKey	PWMIUJKAAICMHR-UHFFFAOYSA-N
Smiles	C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)O
Isomeric SMILES	C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)O
Alternate CAS	124340-93-8
PubChem CID	11207170

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	239.230 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	239.069 Da
Monoisotopic Mass	239.069 Da
Topological Polar Surface Area	78.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	317.000
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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