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3-iodo-7-nitro-1H-indazole - 97%, high purity , CAS No.864724-64-1
Discover 3-iodo-7-nitro-1H-indazole by Aladdin Scientific in 97% for only $87.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-iodo-7-nitro-1H-indazole | 864724-64-1 | 3-Iodo-7-nitroindazole | 3-iodo-7-nitro-2H-indazole | MFCD09027004 | SCHEMBL3004143 | DTXSID80479937 | CVQKINXVUVZMJY-UHFFFAOYSA-N | AKOS015853982 | PB14625 | AS-33761 | SY097455 | CS-0051302 | FT-0678219 | EN300-1709573
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
Nitroaromatic compounds Benzenoids Aryl iodides Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Nitroaromatic compound - Aryl halide - Aryl iodide - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic oxygen compound - Organoiodide - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic zwitterion - Hydrocarbon derivative - 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-7-nitro-2H-indazole
INCHI
InChI=1S/C7H4IN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
InChIKey
CVQKINXVUVZMJY-UHFFFAOYSA-N
Smiles
C1=CC2=C(NN=C2C(=C1)[N+](=O)[O-])I
Isomeric SMILES
C1=CC2=C(NN=C2C(=C1)[N+](=O)[O-])I
PubChem CID
12194792
Molecular Weight
289.032
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
289.030 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
288.935 Da
Monoisotopic Mass
288.935 Da
Topological Polar Surface Area
74.500 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
220.000
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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