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4-(chloromethyl)-1H-indazole - 97%, high purity , CAS No.944898-78-6
Discover 4-(chloromethyl)-1H-indazole by Aladdin Scientific in 97% for only $2,335.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(Chloromethyl)-1H-indazole | 944898-78-6 | MFCD10696785 | 1H-INDAZOLE, 4-(CHLOROMETHYL)- | SCHEMBL14840686 | DTXSID40717029 | YWXHEIMWLKXGQI-UHFFFAOYSA-N | AKOS006302489 | AB58155 | AM86156 | AS-53487 | SY097700 | CS-0051171 | P16572 | A859394
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 Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indazole - Benzopyrazole - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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-(chloromethyl)-1H-indazole
INCHI
InChI=1S/C8H7ClN2/c9-4-6-2-1-3-8-7(6)5-10-11-8/h1-3,5H,4H2,(H,10,11)
InChIKey
YWXHEIMWLKXGQI-UHFFFAOYSA-N
Smiles
C1=CC(=C2C=NNC2=C1)CCl
Isomeric SMILES
C1=CC(=C2C=NNC2=C1)CCl
Molecular Weight
166.61
Reaxy-Rn
23755351
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23755351&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
166.610 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
166.03 Da
Monoisotopic Mass
166.03 Da
Topological Polar Surface Area
28.700 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
140.000
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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