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20712-11-2

20712-11-2 | 6-Nitrobenzo[c]isothiazole

CAS No: 20712-11-2 Catalog No: AG01EN7Y MDL No:

Product Description

Catalog Number:
AG01EN7Y
Chemical Name:
6-Nitrobenzo[c]isothiazole
CAS Number:
20712-11-2
IUPAC Name:
6-nitro-2,1-benzothiazole
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

Properties

Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.181g/mol
Monoisotopic Mass:
179.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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