Cas no 948581-67-7 (1H-Indole-3-carboxylic acid, 7-chloro-4-methyl-)
948581-67-7 structure
Product Name:1H-Indole-3-carboxylic acid, 7-chloro-4-methyl-
CAS No:948581-67-7
MF:C10H8ClNO2
MW:209.629021644592
CID:1001315
PubChem ID:45121044
Update Time:2025-04-20
1H-Indole-3-carboxylic acid, 7-chloro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxylic acid, 7-chloro-4-methyl-
- 7-chloro-4-methyl-1H-indole-3-carboxylic acid
- 948581-67-7
- PFMMSALLSIAESJ-UHFFFAOYSA-N
- SCHEMBL1465916
- 1h-indole-3-carboxylic acid,7-chloro-4-methyl-
- 7-chloro-4-methyl-1H-indole-3-carboxylicacid
-
- Inchi： 1S/C10H8ClNO2/c1-5-2-3-7(11)9-8(5)6(4-12-9)10(13)14/h2-4,12H,1H3,(H,13,14)
- InChI Key： PFMMSALLSIAESJ-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C)C2C(C(=O)O)=CNC=21
Computed Properties
- Exact Mass: 209.0243562g/mol
- Monoisotopic Mass: 209.0243562g/mol
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 53.1?2
1H-Indole-3-carboxylic acid, 7-chloro-4-methyl- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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