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Home > Nitro Compounds > 29241-16-5
29241-16-5 | 1,2,3-Benzothiadiazole, 6-nitro-
CAS No: 29241-16-5 Catalog No: AG002XTC MDL No:
Product Description
Catalog Number:
AG002XTC
Chemical Name:
1,2,3-Benzothiadiazole, 6-nitro-
CAS Number:
29241-16-5
Molecular Formula:
C6H3N3O2S
Molecular Weight:
181.1719
IUPAC Name:
6-nitro-1,2,3-benzothiadiazole
InChI:
InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)12-8-7-5/h1-3H
InChI Key:
UKEXDPWRCYZDHX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)snn2
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:
1.7
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