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Home > Nitro Compounds > 156809-43-7
156809-43-7 | Benzamide, N-[3-(4-nitrophenyl)-4-oxo-2-thiazolidinylidene]-
CAS No: 156809-43-7 Catalog No: AG001P0L MDL No:
Product Description
Catalog Number:
AG001P0L
Chemical Name:
Benzamide, N-[3-(4-nitrophenyl)-4-oxo-2-thiazolidinylidene]-
CAS Number:
156809-43-7
Molecular Formula:
C16H11N3O4S
Molecular Weight:
341.3412
IUPAC Name:
N-[3-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
InChI:
InChI=1S/C16H11N3O4S/c20-14-10-24-16(17-15(21)11-4-2-1-3-5-11)18(14)12-6-8-13(9-7-12)19(22)23/h1-9H,10H2
InChI Key:
BOPAGURYWUSDGM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N=C1SCC(=O)N1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.047g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.341g/mol
Monoisotopic Mass:
341.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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