Cas no 196205-25-1 (Benzothiazole,7-chloro-5-nitro-)
196205-25-1 structure
Product Name:Benzothiazole,7-chloro-5-nitro-
CAS No:196205-25-1
MF:C7H3ClN2O2S
MW:214.628918886185
CID:116901
PubChem ID:22728032
Update Time:2025-04-18
Benzothiazole,7-chloro-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,7-chloro-5-nitro-
- Benzothiazole, 7-chloro-5-nitro- (9CI)
- 7-Chloro-5-nitro-1,3-benzothiazole
- 196205-25-1
- MJNSFEWLDPVGSP-UHFFFAOYSA-N
- SCHEMBL6781909
- 5-Nitro-7-chlorobenzothiazole
-
- Inchi： 1S/C7H3ClN2O2S/c8-5-1-4(10(11)12)2-6-7(5)13-3-9-6/h1-3H
- InChI Key： MJNSFEWLDPVGSP-UHFFFAOYSA-N
- SMILES： ClC1=CC(=CC2=C1SC=N2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 213.96049
- 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
Experimental Properties
- PSA: 56.03
Benzothiazole,7-chloro-5-nitro- Related Literature
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
5. 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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