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4-bromo-5-methoxy-1H-indole - 97%, high purity , CAS No.90858-86-9
Discover 4-bromo-5-methoxy-1H-indole by Aladdin Scientific in 97% for only $2,102.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-bromo-5-methoxy-1H-indole | 90858-86-9 | 4-bromo-5-methoxyindole | 1H-Indole, 4-bromo-5-methoxy- | MFCD12973810 | 4-brom-5-methoxy-1H-indole | SCHEMBL1998130 | AMY2148 | FPSVUEYKYLKRJL-UHFFFAOYSA-N | BBL102251 | STL556050 | AKOS017343675 | DS-7952 | PB43813 | SY031152 | EN300-345748
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
Not available
Direct Parent
Indoles
Alternative Parents
Anisoles Alkyl aryl ethers Aryl bromides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Pyrrole - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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-bromo-5-methoxy-1H-indole
INCHI
InChI=1S/C9H8BrNO/c1-12-8-3-2-7-6(9(8)10)4-5-11-7/h2-5,11H,1H3
InChIKey
FPSVUEYKYLKRJL-UHFFFAOYSA-N
Smiles
COC1=C(C2=C(C=C1)NC=C2)Br
Isomeric SMILES
COC1=C(C2=C(C=C1)NC=C2)Br
Molecular Weight
226.07
Reaxy-Rn
4396445
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4396445&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
226.070 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
224.979 Da
Monoisotopic Mass
224.979 Da
Topological Polar Surface Area
25.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165.000
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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