Cas no 281204-54-4 (ethyl 2-(6-bromo-1H-indol-1-yl)acetate)
281204-54-4 structure
Product Name:ethyl 2-(6-bromo-1H-indol-1-yl)acetate
CAS No:281204-54-4
MF:C12H12BrNO2
MW:282.133182525635
CID:5682765
PubChem ID:62046179
Update Time:2023-09-14
ethyl 2-(6-bromo-1H-indol-1-yl)acetate Chemical and Physical Properties
Names and Identifiers
-
- AKOS011322972
- MFCD11894354
- ethyl 2-(6-bromo-1H-indol-1-yl)acetate
- 281204-54-4
- 1H-Indole-1-acetic acid, 6-bromo-, ethyl ester
-
- Inchi： 1S/C12H12BrNO2/c1-2-16-12(15)8-14-6-5-9-3-4-10(13)7-11(9)14/h3-7H,2,8H2,1H3
- InChI Key： ZMDSHPGQZDXPLB-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C=CN(CC(=O)OCC)C=2C=1
Computed Properties
- Exact Mass: 281.00514g/mol
- Monoisotopic Mass: 281.00514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 259
- 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: 3.1
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- Density: 1.44±0.1 g/cm3(Predicted)
- Melting Point: 188-189 °C
- Boiling Point: 383.4±22.0 °C(Predicted)
ethyl 2-(6-bromo-1H-indol-1-yl)acetate Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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