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4-Chloro-6-methyl-1H-indole - 98%, high purity , CAS No.885521-78-8
Discover 4-Chloro-6-methyl-1H-indole by Aladdin Scientific in 98% for only $58.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-Chloro-6-methyl-1H-indole | 885521-78-8 | 1h-indole,4-chloro-6-methyl- | 4-Chloro-6-methylindole | SCHEMBL15826435 | DTXSID50646492 | MFCD07781504 | AKOS006287794 | DS-7197 | CS-0153267 | C76939 | A861763
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Benzenoids Aryl chlorides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
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-chloro-6-methyl-1H-indole
INCHI
InChI=1S/C9H8ClN/c1-6-4-8(10)7-2-3-11-9(7)5-6/h2-5,11H,1H3
InChIKey
BVKCEPCPTRIIFU-UHFFFAOYSA-N
Smiles
CC1=CC2=C(C=CN2)C(=C1)Cl
Isomeric SMILES
CC1=CC2=C(C=CN2)C(=C1)Cl
Molecular Weight
165.62
Reaxy-Rn
41767987
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41767987&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
165.620 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
165.035 Da
Monoisotopic Mass
165.035 Da
Topological Polar Surface Area
15.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
148.000
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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