Home Nitros 2,1,3-Benzothiadiazole, 5-nitro-

2,1,3-Benzothiadiazole, 5-nitro-

CAS No.:
16252-88-3
Catalog Number:
AG001T8B
Molecular Formula:
C6H3N3O2S
Molecular Weight:
181.1719
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Product Description
Catalog Number:
AG001T8B
Chemical Name:
2,1,3-Benzothiadiazole, 5-nitro-
CAS Number:
16252-88-3
Molecular Formula:
C6H3N3O2S
Molecular Weight:
181.1719
MDL Number:
MFCD00114840
IUPAC Name:
5-nitro-2,1,3-benzothiadiazole
InChI:
InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)8-12-7-5/h1-3H
InChI Key:
BXZPSERJJMAPSV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nsn2
NSC Number:
169218
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.995g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.169g/mol
Monoisotopic Mass:
180.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties