Cas no 108797-28-0 (Ethyl 5-fluoro-1-methylindole-2-carboxylate)
108797-28-0 structure
Product Name:Ethyl 5-fluoro-1-methylindole-2-carboxylate
CAS No:108797-28-0
MF:C12H12FNO2
MW:221.227586746216
CID:1186939
PubChem ID:10775338
Update Time:2025-04-20
Ethyl 5-fluoro-1-methylindole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-fluoro-1-methylindole-2-carboxylate
- ethyl 5-fluoro-1-methyl-1H-indole-2-carboxylate
- 1H-Indole-2-carboxylic acid, 5-fluoro-1-methyl-, ethyl ester
- DTXSID40444747
- N17082
- DA-33759
- SCHEMBL2281043
- QIZYMGRKSHRZEY-UHFFFAOYSA-N
- 108797-28-0
-
- Inchi: 1S/C12H12FNO2/c1-3-16-12(15)11-7-8-6-9(13)4-5-10(8)14(11)2/h4-7H,3H2,1-2H3
- InChI Key: QIZYMGRKSHRZEY-UHFFFAOYSA-N
- SMILES: FC1C=CC2=C(C=1)C=C(C(=O)OCC)N2C
Computed Properties
- Exact Mass: 221.08526
- Monoisotopic Mass: 221.08520679g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 272
- 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: 2.7
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- PSA: 31.23
- LogP: 2.49410
Ethyl 5-fluoro-1-methylindole-2-carboxylate Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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