6-Nitrobenzo[c]isothiazole - CAS 20712-11-2
Catalog: |
BB016209 |
Product Name: |
6-Nitrobenzo[c]isothiazole |
CAS: |
20712-11-2 |
Synonyms: |
6-nitro-2,1-benzothiazole; 6-nitro-2,1-benzothiazole |
IUPAC Name: | 6-nitro-2,1-benzothiazole |
Description: | 6-Nitrobenzo[c]isothiazole (CAS# 20712-11-2 ) is a useful research chemical. |
Molecular Weight: | 180.18 |
Molecular Formula: | C7H4N2O2S |
Canonical SMILES: | C1=CC2=CSN=C2C=C1[N+](=O)[O-] |
InChI: | InChI=1S/C7H4N2O2S/c10-9(11)6-2-1-5-4-12-8-7(5)3-6/h1-4H |
InChI Key: | BOFCVHQQACRTKT-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-3890340-A | Preparation of 2,1-benzisothiazoles | 19731219 |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.99934855 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.99934855 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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