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28560-72-7 | 8H-Indeno[2,1-b]thiophen-8-one, 2-nitro-
CAS No: 28560-72-7 Catalog No: AG002VPR MDL No:
Product Description
Catalog Number:
AG002VPR
Chemical Name:
8H-Indeno[2,1-b]thiophen-8-one, 2-nitro-
CAS Number:
28560-72-7
Molecular Formula:
C11H5NO3S
Molecular Weight:
231.2273
IUPAC Name:
2-nitroindeno[2,1-b]thiophen-4-one
InChI:
InChI=1S/C11H5NO3S/c13-10-7-4-2-1-3-6(7)8-5-9(12(14)15)16-11(8)10/h1-5H
InChI Key:
KEHIOHQUZQSPCO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sc2c(c1)c1c(C2=O)cccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.999g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.225g/mol
Monoisotopic Mass:
230.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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