Cas no 1188227-52-2 (2-Bromo-6-methoxy-4-nitrobenzothiazole)
1188227-52-2 structure
Product Name:2-Bromo-6-methoxy-4-nitrobenzothiazole
CAS No:1188227-52-2
MF:C8H5BrN2O3S
MW:289.105899572372
CID:3155439
PubChem ID:123135018
Update Time:2025-04-21
2-Bromo-6-methoxy-4-nitrobenzothiazole Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-6-methoxy-4-nitrobenzothiazole
- 2-Bromo-6-methoxy-4-nitrobenzo[d]thiazole
- 1188227-52-2
-
- Inchi： 1S/C8H5BrN2O3S/c1-14-4-2-5(11(12)13)7-6(3-4)15-8(9)10-7/h2-3H,1H3
- InChI Key： LRWCMORTEHUHGQ-UHFFFAOYSA-N
- SMILES： BrC1=NC2C(=CC(=CC=2S1)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 287.92043Da
- Monoisotopic Mass: 287.92043Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 263
- 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: 3.2
- Topological Polar Surface Area: 96.2?2
2-Bromo-6-methoxy-4-nitrobenzothiazole Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
1188227-52-2 (2-Bromo-6-methoxy-4-nitrobenzothiazole) Related Products
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