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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-bromo-1H-indole-5-carboxylic acid

OC(=O)c1cc2c(Br)c[nH]c2cc1 Request for Quotation
Chemical Name: 3-bromo-1H-indole-5-carboxylic acid
CAS Number: 916179-87-8
Product Number: AG003J4I(AGN-PC-09SGCG)
Synonyms:
MDL No: MFCD12828698
Molecular Formula: C9H6BrNO2
Molecular Weight: 240.0534

Identification/Properties

Properties
BP:
470.9±25.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
240.056g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
238.958g/mol
Monoisotopic Mass:
238.958g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
222
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


1H-Indole-5-carboxylic acid, 3-bromo- is a key intermediate in organic chemistry widely used in chemical synthesis processes. This compound serves as a crucial building block in the creation of various functional molecules and pharmaceuticals. Its unique structural properties make it a versatile starting material for the synthesis of heterocyclic compounds, such as indole derivatives, which have diverse applications in medicinal chemistry.In chemical synthesis, 1H-Indole-5-carboxylic acid, 3-bromo- is often employed as a valuable precursor in the development of new drugs, agrochemicals, and materials. Its bromo substituent provides a site for further functionalization, allowing chemists to easily modify its chemical structure to introduce specific properties or functionalities. This versatility makes it an essential component in the production of complex organic molecules with tailored properties for a wide range of applications.Furthermore, the presence of the indole moiety in this compound imparts biological activity to the molecules derived from it, making it a key player in the discovery and development of novel pharmaceutical agents. By incorporating 1H-Indole-5-carboxylic acid, 3-bromo- into synthetic routes, chemists can access a variety of biologically active compounds that hold potential for therapeutic interventions in various disease pathways.Overall, the strategic use of 1H-Indole-5-carboxylic acid, 3-bromo- in chemical synthesis enables researchers and synthetic chemists to access a diverse array of functional molecules with tailored properties for applications in drug discovery, materials science, and agrochemical development.