Cas no 2089318-98-7 (tert-Butyl 2-chloro-5H-pyrrolo[2,3-b]pyrazine-5-carboxylate)
![tert-Butyl 2-chloro-5H-pyrrolo[2,3-b]pyrazine-5-carboxylate structure](https://ossimg.kuujia.com/scimg/2089500/2089318-98-7x500.png)
2089318-98-7 structure
Product Name:tert-Butyl 2-chloro-5H-pyrrolo[2,3-b]pyrazine-5-carboxylate
CAS No:2089318-98-7
MF:C11H12ClN3O2
MW:253.684881210327
CID:5706438
PubChem ID:121231700
Update Time:2023-10-15
tert-Butyl 2-chloro-5H-pyrrolo[2,3-b]pyrazine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 2089318-98-7
- tert-Butyl2-chloro-5H-pyrrolo[2,3-b]pyrazine-5-carboxylate
- tert-Butyl 2-chloro-5H-pyrrolo[2,3-b]pyrazine-5-carboxylate
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- Inchi： 1S/C11H12ClN3O2/c1-11(2,3)17-10(16)15-5-4-7-9(15)13-6-8(12)14-7/h4-6H,1-3H3
- InChI Key： AIBZJAORWQLASF-UHFFFAOYSA-N
- SMILES： ClC1=CN=C2C(C=CN2C(=O)OC(C)(C)C)=N1
Computed Properties
- Exact Mass: 253.0618043g/mol
- Monoisotopic Mass: 253.0618043g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 306
- 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: 2.5
- Topological Polar Surface Area: 57?2
tert-Butyl 2-chloro-5H-pyrrolo[2,3-b]pyrazine-5-carboxylate Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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