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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-2-carboxylic acid, 7-chloro-

OC(=O)c1cc2c([nH]1)c(Cl)ccc2 Request for Quotation
Chemical Name: 1H-Indole-2-carboxylic acid, 7-chloro-
CAS Number: 28899-75-4
Product Number: AG002WZB(AGN-PC-0JLMP3)
Synonyms:
MDL No:
Molecular Formula: C9H6ClNO2
Molecular Weight: 195.6024

Identification/Properties

Properties
MP:
233-236°C
BP:
449.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
195.602g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
195.009g/mol
Monoisotopic Mass:
195.009g/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

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


7-Chloro-1H-indole-2-carboxylic acid, also known as $name$, serves as a valuable building block in chemical synthesis. As a versatile intermediate in organic chemistry, this compound plays a crucial role in the creation of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure and functional groups enable it to participate in a wide range of reactions, including condensation, substitution, and cyclization reactions. In particular, 7-Chloro-1H-indole-2-carboxylic acid is frequently utilized in the synthesis of indole-based compounds, which are prevalent in medicinal chemistry due to their diverse biological activities. Additionally, this compound can be further modified to introduce additional functionalities, making it a valuable tool for the development of novel molecules with potential applications in drug discovery and material science.