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4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1H-indazole - 97%, high purity , CAS No.1186334-80-4
Discover 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1H-indazole by Aladdin Scientific in 97% for only $4,285.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1186334-80-4 | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1H-indazole | (7-(Trifluoromethyl)-1H-indazol-4-yl)boronic acid pinacol ester | MFCD27993180 | 7-trifluoromethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indazole | SCHEMBL
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 Pyrazolines Pyrazoles Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Hydrazones Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organoboron compounds Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indazole - Benzopyrazole - Benzenoid - Heteroaromatic compound - Pyrazoline - Pyrazole - 1,3,2-dioxaborolane - Boronic acid ester - Azole - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Organoboron compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1H-indazole
INCHI
InChI=1S/C14H16BF3N2O2/c1-12(2)13(3,4)22-15(21-12)10-6-5-9(14(16,17)18)11-8(10)7-19-20-11/h5-7H,1-4H3,(H,19,20)
InChIKey
GRPZTCCRPPNGAZ-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=C(C=C2)C(F)(F)F
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=NNC3=C(C=C2)C(F)(F)F
PubChem CID
68666071
Molecular Weight
312.095
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
312.100 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
312.126 Da
Monoisotopic Mass
312.126 Da
Topological Polar Surface Area
47.100 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
428.000
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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