Cas no 95306-84-6 (1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester)
95306-84-6 structure
Product Name:1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester
CAS No:95306-84-6
MF:C18H16ClNO2
MW:313.778143882751
CID:751896
PubChem ID:13295699
Update Time:2025-04-19
1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester
- ethyl 1-benzyl-5-chloroindole-2-carboxylate
- RIOJHKOPSLXMTN-UHFFFAOYSA-N
- 95306-84-6
- ethyl 5-chloro-1-(phenylmethyl)-1h-indole-2-carboxylate
- Ethyl 1-benzyl-5-chloro-1H-indole-2-carboxylate
- DTXSID80535406
- SCHEMBL1503984
- 1-benzyl-5-chloroindole-2-carboxylic acid ethyl ester
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- Inchi: 1S/C18H16ClNO2/c1-2-22-18(21)17-11-14-10-15(19)8-9-16(14)20(17)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
- InChI Key: RIOJHKOPSLXMTN-UHFFFAOYSA-N
- SMILES: ClC1C=CC2=C(C=1)C=C(C(=O)OCC)N2CC1C=CC=CC=1
Computed Properties
- Exact Mass: 313.0869564g/mol
- Monoisotopic Mass: 313.0869564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 383
- 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: 4.8
- Topological Polar Surface Area: 31.2?2
1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester Related Literature
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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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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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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