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2-Oxo-2，3-dihydro-1H-benzo[d]imidazole-5-carbonitrile - ≥97%, high purity , CAS No.221289-88-9

COA

Grade & Purity:

≥97%

Cas Number: 221289-88-9
Molecular Weight: 159.15
PubChem CID: 11643974

In stock

Item Number

O726167

Grouped product items
SKU	Size	Availability	Price	Qty
O726167-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$576.90

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	Benzenoids Imidazoles Heteroaromatic compounds Ureas Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Urea - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - 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-oxo-1,3-dihydrobenzimidazole-5-carbonitrile
INCHI	InChI=1S/C8H5N3O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,(H2,10,11,12)
InChIKey	HMERLJKYKSAIMU-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1C#N)NC(=O)N2
Isomeric SMILES	C1=CC2=C(C=C1C#N)NC(=O)N2
PubChem CID	11643974
Molecular Weight	159.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	159.140 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	159.043 Da
Monoisotopic Mass	159.043 Da
Topological Polar Surface Area	64.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	254.000
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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