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Home > Nitro Compounds > 17402-90-3
17402-90-3 | Benzo[b]thiophene, 6-nitro-
CAS No: 17402-90-3 Catalog No: AG001ZER MDL No:MFCD01159615
Product Description
Catalog Number:
AG001ZER
Chemical Name:
Benzo[b]thiophene, 6-nitro-
CAS Number:
17402-90-3
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD01159615
IUPAC Name:
6-nitro-1-benzothiophene
InChI:
InChI=1S/C8H5NO2S/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5H
InChI Key:
ZBWHFIUQUWBWLE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)scc2
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Inhibition of permeability transition pore opening by mitochondrial STAT3 and its role in myocardial ischemia/reperfusion. | Basic research in cardiology 20101101 |
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