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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)-

1H-Indole-3-carboxylic acid, 5-chloro-, methyl ester

COC(=O)c1c[nH]c2c1cc(Cl)cc2 Request for Quotation
Chemical Name: 1H-Indole-3-carboxylic acid, 5-chloro-, methyl ester
CAS Number: 172595-67-4
Product Number: AG0037ZL(AGN-PC-0NL17L)
Synonyms:
MDL No:
Molecular Formula: C10H8ClNO2
Molecular Weight: 209.6290

Identification/Properties

Computed Properties
Molecular Weight:
209.629g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
209.024g/mol
Monoisotopic Mass:
209.024g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 5-chloro-1H-indole-3-carboxylate is a valuable chemical compound commonly utilized in organic synthesis reactions. This compound serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and other fine chemicals. Its versatile nature allows for the introduction of the chloro and ester functionalities into more complex molecules, offering chemists the ability to craft intricate structures with precision. By strategically incorporating Methyl 5-chloro-1H-indole-3-carboxylate into synthesis pathways, researchers can access a diverse range of bioactive compounds and novel materials essential for advancing scientific knowledge and technological innovation. This compound's role in chemical synthesis underscores its significance as a fundamental tool in the pursuit of new discoveries and advancements in various industries.