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5-bromo-4-nitro-1H-indazole-3-carboxylic acid - 97%, high purity , CAS No.865886-79-9
Basic Description
Synonyms
865886-79-9 | 5-BROMO-4-NITRO-1H-INDAZOLE-3-CARBOXYLIC ACID | 5-bromo-4-nitro-1H-indazole-3-carboxylicacid | 1h-indazole-3-carboxylic acid,5-bromo-4-nitro- | SCHEMBL1965498 | SB12952 | F85910
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Pyrazole carboxylic acids and derivatives Nitroaromatic compounds Aryl bromides Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Organobromides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organooxygen compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Nitroaromatic compound - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Organic nitro compound - C-nitro compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organohalogen compound - Organic salt - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
5-bromo-4-nitro-1H-indazole-3-carboxylic acid
INCHI
InChI=1S/C8H4BrN3O4/c9-3-1-2-4-5(7(3)12(15)16)6(8(13)14)11-10-4/h1-2H,(H,10,11)(H,13,14)
InChIKey
OEUUOEMNVIKSLG-UHFFFAOYSA-N
Smiles
C1=CC(=C(C2=C1NN=C2C(=O)O)[N+](=O)[O-])Br
Isomeric SMILES
C1=CC(=C(C2=C1NN=C2C(=O)O)[N+](=O)[O-])Br
PubChem CID
67230268
Molecular Weight
286.04
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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