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5-Bromo-1,3-dimethyl-1H-indole - 97%, high purity , CAS No.10075-49-7
Discover 5-Bromo-1,3-dimethyl-1H-indole by Aladdin Scientific in 97% for only $709.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-Bromo-1,3-dimethyl-1H-indole | 10075-49-7 | 5-bromo-1,3-dimethylindole | 1H-Indole, 5-bromo-1,3-dimethyl- | SCHEMBL2382103 | DTXSID801305891 | MFCD21988755 | AKOS022189223 | DS-9167 | CS-0152874 | FT-0752192 | C71042
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
3-alkylindoles
Direct Parent
3-methylindoles
Alternative Parents
N-alkylindoles N-methylpyrroles Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methylindole - N-alkylindole - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
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
5-bromo-1,3-dimethylindole
INCHI
InChI=1S/C10H10BrN/c1-7-6-12(2)10-4-3-8(11)5-9(7)10/h3-6H,1-2H3
InChIKey
QVWBXPVEGYLTRQ-UHFFFAOYSA-N
Smiles
CC1=CN(C2=C1C=C(C=C2)Br)C
Isomeric SMILES
CC1=CN(C2=C1C=C(C=C2)Br)C
Molecular Weight
224.1
Reaxy-Rn
1343509
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1343509&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
224.100 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
223 Da
Monoisotopic Mass
223 Da
Topological Polar Surface Area
4.900 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
171.000
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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