Cas no 825623-68-5 (1H-Indole-2-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester)
825623-68-5 structure
Product Name:1H-Indole-2-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
CAS No:825623-68-5
MF:C17H14ClNO2
MW:299.751563549042
CID:688563
PubChem ID:68667429
Update Time:2025-04-19
1H-Indole-2-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
- ethyl 5-(4-chlorophenyl)-1H-indole-2-carboxylate
- SCHEMBL3500194
- DTXSID70738747
- 825623-68-5
-
- Inchi： 1S/C17H14ClNO2/c1-2-21-17(20)16-10-13-9-12(5-8-15(13)19-16)11-3-6-14(18)7-4-11/h3-10,19H,2H2,1H3
- InChI Key： MLWGRVSVXUJEMC-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1C=CC2=C(C=C(C(=O)OCC)N2)C=1
Computed Properties
- Exact Mass: 299.0713064g/mol
- Monoisotopic Mass: 299.0713064g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 368
- 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: 5.4
- Topological Polar Surface Area: 42.1?2
1H-Indole-2-carboxylic acid, 5-(4-chlorophenyl)-, ethyl ester Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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