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15639-38-0 | 2,1,3-Benzothiadiazole, 5,7-dichloro-4-nitro-
CAS No: 15639-38-0 Catalog No: AG001OPU MDL No:
Product Description
Catalog Number:
AG001OPU
Chemical Name:
2,1,3-Benzothiadiazole, 5,7-dichloro-4-nitro-
CAS Number:
15639-38-0
Molecular Formula:
C6HCl2N3O2S
Molecular Weight:
250.0620
IUPAC Name:
5,7-dichloro-4-nitro-2,1,3-benzothiadiazole
InChI:
InChI=1S/C6HCl2N3O2S/c7-2-1-3(8)6(11(12)13)5-4(2)9-14-10-5/h1H
InChI Key:
VMNSEFBKSLZAEC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)cc(c2c1nsn2)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.917g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.053g/mol
Monoisotopic Mass:
248.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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