Cas no 30132-81-1 (benzothiazole, 6-chloro-7-nitro- (8ci))
30132-81-1 structure
Product Name:benzothiazole, 6-chloro-7-nitro- (8ci)
CAS No:30132-81-1
MF:C7H3ClN2O2S
MW:214.628918886185
CID:915925
PubChem ID:45077631
Update Time:2025-04-19
benzothiazole, 6-chloro-7-nitro- (8ci) Chemical and Physical Properties
Names and Identifiers
-
- benzothiazole, 6-chloro-7-nitro- (8ci)
- DB-274883
- BENZOTHIAZOLE, 6-CHLORO-7-NITRO-
- 30132-81-1
-
- Inchi： 1S/C7H3ClN2O2S/c8-4-1-2-5-7(13-3-9-5)6(4)10(11)12/h1-3H
- InChI Key： SYHSHZATEFMQJO-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1[N+](=O)[O-])SC=N2
Computed Properties
- Exact Mass: 213.96
- Monoisotopic Mass: 213.96
- 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
- Topological Polar Surface Area: 87A^2
- XLogP3: 2.8
benzothiazole, 6-chloro-7-nitro- (8ci) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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