Cas no 34157-42-1 (Ethyl (3,4,5-tribromo-1H-pyrazol-1-yl)acetate)
34157-42-1 structure
Product Name:Ethyl (3,4,5-tribromo-1H-pyrazol-1-yl)acetate
CAS No:34157-42-1
MF:C7H7Br3N2O2
MW:390.854679346085
CID:2822901
PubChem ID:20327983
Update Time:2025-04-21
Ethyl (3,4,5-tribromo-1H-pyrazol-1-yl)acetate Chemical and Physical Properties
Names and Identifiers
-
- DTXSID90605508
- ethyl 3,4,5-tribromopyrazole-1-acetate
- 34157-42-1
- SCHEMBL11631485
- Ethyl (3,4,5-tribromo-1H-pyrazol-1-yl)acetate
- UFPIZDIOBYBRRC-UHFFFAOYSA-N
-
- Inchi： 1S/C7H7Br3N2O2/c1-2-14-4(13)3-12-7(10)5(8)6(9)11-12/h2-3H2,1H3
- InChI Key： UFPIZDIOBYBRRC-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=NN1CC(=O)OCC)Br)Br
Computed Properties
- Exact Mass: 389.80372Da
- Monoisotopic Mass: 387.80577Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 217
- 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: 3.4
- Topological Polar Surface Area: 44.1?2
Ethyl (3,4,5-tribromo-1H-pyrazol-1-yl)acetate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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2. 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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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