Cas no 153500-78-8 (1H-Indole-2-carboxylic acid, 4-chloro-5-fluoro-, ethyl ester)

1H-Indole-2-carboxylic acid, 4-chloro-5-fluoro-, ethyl ester is a fluorinated and chlorinated indole derivative with potential applications in pharmaceutical and agrochemical research. The presence of both chloro and fluoro substituents enhances its reactivity and selectivity, making it a valuable intermediate in the synthesis of biologically active compounds. The ethyl ester group improves solubility in organic solvents, facilitating further derivatization. This compound is particularly useful in medicinal chemistry for the development of novel heterocyclic scaffolds. Its structural features allow for precise modifications, enabling researchers to explore structure-activity relationships in drug discovery. High purity and stability ensure reliable performance in synthetic workflows.

1H-Indole-2-carboxylic acid, 4-chloro-5-fluoro-, ethyl ester structure

153500-78-8 structure

Product Name:1H-Indole-2-carboxylic acid, 4-chloro-5-fluoro-, ethyl ester

CAS No:153500-78-8

MF:C₁₁H₉ClFNO₂

MW:241.646065473557

CID:1333337

PubChem ID:18986263

Update Time:2025-06-09

1H-Indole-2-carboxylic acid, 4-chloro-5-fluoro-, ethyl ester Chemical and Physical Properties

Names and Identifiers

- 1H-Indole-2-carboxylic acid, 4-chloro-5-fluoro-, ethyl ester
- ethyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
- OZZHTGMCIDRGEH-UHFFFAOYSA-N
- G81137
- DTXSID10597138
- MFCD25959413
- 153500-78-8
- SY341072
- SCHEMBL1883225
- ethyl 4-chloro-5-fluoroindole-2-carboxylate
- AS-0634
- CS-0530920
- Inchi： 1S/C11H9ClFNO2/c1-2-16-11(15)9-5-6-8(14-9)4-3-7(13)10(6)12/h3-5,14H,2H2,1H3
- InChI Key： OZZHTGMCIDRGEH-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC2=C1C=C(C(=O)OCC)N2)F

Computed Properties

Exact Mass: 241.03067
Monoisotopic Mass: 241.0305844g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 16
Rotatable Bond Count: 3
Complexity: 277
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.3
Topological Polar Surface Area: 42.1?2

Experimental Properties

PSA: 42.09

1H-Indole-2-carboxylic acid, 4-chloro-5-fluoro-, ethyl ester Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time	Inquiry
Ambeed	A1481526-1g	Ethyl 4-chloro-5-fluoro-1H-indole-2-carboxylate	153500-78-8		1g	$1828.0	2024-04-23
SHANG HAI SHAO YUAN SHI JI Co., Ltd.	SY341072-1g	Ethyl 4-Chloro-5-fluoro-1H-indole-2-carboxylate	153500-78-8	≥95%	1g	￥16200.00	2025-04-18