Cas no 86153-24-4 (7-Chloro-1H-indole-3-carboxylic acid)

7-Chloro-1H-indole-3-carboxylic acid structure
86153-24-4 structure
Product Name:7-Chloro-1H-indole-3-carboxylic acid
CAS No:86153-24-4
MF:C9H6ClNO2
MW:195.602441310883
MDL:MFCD07369968
CID:706718
PubChem ID:25418670
Update Time:2024-10-26

7-Chloro-1H-indole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 7-Chloro-1H-indole-3-carboxylic acid
    • 1H-INDOLE-3-CARBOXYLIC ACID,7-CHLORO
    • 1H-Indole-3-carboxylicacid, 7-chloro-
    • 7-Chloroindole-3-carboxylic acid
    • 1H-Indole-3-carboxylic acid, 7-chloro-
    • 7-Chloro-1H-indole-3-carboxylicacid
    • DBCJWTBYVXEBJY-UHFFFAOYSA-N
    • BCP08387
    • SB14993
    • SY058802
    • ST2419034
    • AB0027062
    • W8850
    • A102
    • 7-Chloro-1H-indole-3-carboxylic acid (ACI)
    • DB-012441
    • CS-0050053
    • MFCD07369968
    • EN300-185392
    • DB-359838
    • 86153-24-4
    • AS-38024
    • Q-101952
    • AKOS006343491
    • DTXSID60649671
    • 7-Chloro-1H-indole-3-carboxylic acid, AldrichCPR
    • SCHEMBL2036977
    • MDL： MFCD07369968
    • Inchi： 1S/C9H6ClNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13)
    • InChI Key： DBCJWTBYVXEBJY-UHFFFAOYSA-N
    • SMILES： O=C(C1C2C(=C(C=CC=2)Cl)NC=1)O

Computed Properties

  • Exact Mass: 195.009
  • Monoisotopic Mass: 195.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 222
  • 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: 2.6
  • Topological Polar Surface Area: 53.1

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.548
  • Boiling Point: 449.7°C at 760 mmHg
  • Flash Point: 225.8°C
  • Refractive Index: 1.728

7-Chloro-1H-indole-3-carboxylic acid Security Information

7-Chloro-1H-indole-3-carboxylic acid Pricemore >>

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Fluorochem
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7-Chloro-1H-indole-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Dimethylformamide ;  2 h, 5 - 10 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ;  1 h, reflux
Reference
Discovery of potent and orally bioavailable heterocycle-based cannabinoid CB1 receptor agonists
Kiyoi, Takao; et al, Bioorganic & Medicinal Chemistry Letters, 2011, 21(6), 1748-1753

7-Chloro-1H-indole-3-carboxylic acid Raw materials

7-Chloro-1H-indole-3-carboxylic acid Preparation Products

7-Chloro-1H-indole-3-carboxylic acid Related Literature

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