Cas no 196205-22-8 (Benzothiazole, 7-bromo-5-nitro-)
196205-22-8 structure
Product Name:Benzothiazole, 7-bromo-5-nitro-
CAS No:196205-22-8
MF:C7H3BrN2O2S
MW:259.079919099808
CID:3868542
PubChem ID:22728031
Update Time:2025-04-22
Benzothiazole, 7-bromo-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole, 7-bromo-5-nitro-
- DTXSID701308630
- 5-Nitro-7-bromobenzothiazole
- MFCD28659952
- 7-bromo-5-nitrobenzothiazole
- SCHEMBL6782564
- 7-Bromo-5-nitrobenzo[d]thiazole
- SY310824
- 196205-22-8
- FHIUHLVAUJKHNJ-UHFFFAOYSA-N
-
- Inchi： 1S/C7H3BrN2O2S/c8-5-1-4(10(11)12)2-6-7(5)13-3-9-6/h1-3H
- InChI Key： FHIUHLVAUJKHNJ-UHFFFAOYSA-N
- SMILES： S1C2=C(Br)C=C([N+]([O-])=O)C=C2N=C1
Computed Properties
- Exact Mass: 257.90986Da
- Monoisotopic Mass: 257.90986Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 223
- 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: 2.9
- Topological Polar Surface Area: 87?2
Benzothiazole, 7-bromo-5-nitro- Related Literature
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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