- Preparation of phenylsulfonylindolecarboxylic acids and heterocyclylsulfonylindolecarboxylic acids as as 17 β-hydroxysteroid dehydrogenase type 5 inhibitors, World Intellectual Property Organization, , ,
Cas no 948581-64-4 (1H-Indole-3-carboxylicacid, 7-chloro-5-methyl-)
948581-64-4 structure
Product Name:1H-Indole-3-carboxylicacid, 7-chloro-5-methyl-
CAS No:948581-64-4
MF:C10H8ClNO2
MW:209.629021644592
CID:802542
Update Time:2023-09-21
1H-Indole-3-carboxylicacid, 7-chloro-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxylicacid, 7-chloro-5-methyl-
- 7-chloro-5-methyl-1H-indole-3-carboxylic acid
- 7-Chloro-5-methyl-1H-indole-3-carboxylic acid (ACI)
-
- Inchi： 1S/C10H8ClNO2/c1-5-2-6-7(10(13)14)4-12-9(6)8(11)3-5/h2-4,12H,1H3,(H,13,14)
- InChI Key： PZGCQDYHRSKRDO-UHFFFAOYSA-N
- SMILES： O=C(C1C2C(=C(C=C(C)C=2)Cl)NC=1)O
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 246
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 2.6
Experimental Properties
- Density: 1.469
- Boiling Point: 456 oC
- Flash Point: 229 oC
1H-Indole-3-carboxylicacid, 7-chloro-5-methyl- Production Method
Production Method 1
Reaction Conditions
Reference
1H-Indole-3-carboxylicacid, 7-chloro-5-methyl- Preparation Products
1H-Indole-3-carboxylicacid, 7-chloro-5-methyl- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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