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3-iodo-1H-indazole-5-carboxylic acid - 97%, high purity , CAS No.885521-46-0
Discover 3-iodo-1H-indazole-5-carboxylic acid by Aladdin Scientific in 97% for only $37.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-Iodo-1H-indazole-5-carboxylic acid | 885521-46-0 | 3-IODOINDAZOLE-5-CARBOXYLIC ACID | 3-iodo-2H-indazole-5-carboxylic acid | MFCD07781585 | 3-IODO-1H-INDAZOLE-5-CARBOXYLICACID | SCHEMBL2560742 | DTXSID70646257 | DYZNTIADYAHDQK-UHFFFAOYSA-N | AMY31775 | BCP20835 | 3-iodo-1H-i
Specifications & Purity
≥97%
Storage Temp
Room temperature
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
Benzenoids Aryl iodides Pyrazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Aryl halide - Aryl iodide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organoiodide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - 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
3-iodo-2H-indazole-5-carboxylic acid
INCHI
InChI=1S/C8H5IN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKey
DYZNTIADYAHDQK-UHFFFAOYSA-N
Smiles
C1=CC2=NNC(=C2C=C1C(=O)O)I
Isomeric SMILES
C1=CC2=NNC(=C2C=C1C(=O)O)I
PubChem CID
24728200
Molecular Weight
288.044
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
288.040 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
287.94 Da
Monoisotopic Mass
287.94 Da
Topological Polar Surface Area
66.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
224.000
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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