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Home > Nitro Compounds > 28620-12-4
28620-12-4 | 2(3H)-Benzothiazolone, 6-nitro-
CAS No: 28620-12-4 Catalog No: AG002VVK MDL No:MFCD00239350
Product Description
Catalog Number:
AG002VVK
Chemical Name:
2(3H)-Benzothiazolone, 6-nitro-
CAS Number:
28620-12-4
Molecular Formula:
C7H4N2O3S
Molecular Weight:
196.1833
MDL Number:
MFCD00239350
IUPAC Name:
6-nitro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
InChI Key:
QITPMSSAFSZYOP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.18g/mol
Monoisotopic Mass:
195.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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