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Home > Nitro Compounds > 6583-06-8
6583-06-8 | 4-Nitrobenzo[c][1,2,5]thiadiazole
CAS No: 6583-06-8 Catalog No: AG003LUL MDL No:MFCD00068050
Product Description
Catalog Number:
AG003LUL
Chemical Name:
4-Nitrobenzo[c][1,2,5]thiadiazole
CAS Number:
6583-06-8
Molecular Formula:
C6H3N3O2S
Molecular Weight:
181.1719
MDL Number:
MFCD00068050
IUPAC Name:
4-nitro-2,1,3-benzothiadiazole
InChI:
InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H
InChI Key:
IWQKAMJGVIHECB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1nsn2
EC Number:
229-514-5
NSC Number:
404747
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
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