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Home > Nitro Compounds > 865659-01-4
865659-01-4 | 2-nitro-N-{6-oxo-4H,5H,6H-cyclopenta[b]thiophen-4-yl}benzene-1-sulfonamide
CAS No: 865659-01-4 Catalog No: AG00IPSA MDL No:MFCD03787109
Product Description
Catalog Number:
AG00IPSA
Chemical Name:
2-nitro-N-{6-oxo-4H,5H,6H-cyclopenta[b]thiophen-4-yl}benzene-1-sulfonamide
CAS Number:
865659-01-4
Molecular Formula:
C13H10N2O5S2
Molecular Weight:
338.3589
MDL Number:
MFCD03787109
IUPAC Name:
2-nitro-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)benzenesulfonamide
InChI:
InChI=1S/C13H10N2O5S2/c16-11-7-9(8-5-6-21-13(8)11)14-22(19,20)12-4-2-1-3-10(12)15(17)18/h1-6,9,14H,7H2
InChI Key:
ULRXYRMMOAEAHL-UHFFFAOYSA-N
SMILES:
O=C1CC(c2c1scc2)NS(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.003g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.352g/mol
Monoisotopic Mass:
338.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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