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Home > Nitro Compounds > 832081-86-4
832081-86-4 | 2(1H)-Quinoxalinone, 6-nitro-3-(2-thienyl)-
CAS No: 832081-86-4 Catalog No: AG005970 MDL No:
Product Description
Catalog Number:
AG005970
Chemical Name:
2(1H)-Quinoxalinone, 6-nitro-3-(2-thienyl)-
CAS Number:
832081-86-4
Molecular Formula:
C12H7N3O3S
Molecular Weight:
273.2673
IUPAC Name:
6-nitro-3-thiophen-2-yl-1H-quinoxalin-2-one
InChI:
InChI=1S/C12H7N3O3S/c16-12-11(10-2-1-5-19-10)13-9-6-7(15(17)18)3-4-8(9)14-12/h1-6H,(H,14,16)
InChI Key:
IBQOMLFAVWSRNK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(c(=O)[nH]2)c1cccs1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.266g/mol
Monoisotopic Mass:
273.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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