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Home > Nitro Compounds > 88351-93-3
88351-93-3 | 2,4(1H,3H)-Pyrimidinedione, 6-[2-(3-nitrophenyl)-4-oxo-3-thiazolidinyl]-
CAS No: 88351-93-3 Catalog No: AG0045AV MDL No:
Product Description
Catalog Number:
AG0045AV
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[2-(3-nitrophenyl)-4-oxo-3-thiazolidinyl]-
CAS Number:
88351-93-3
Molecular Formula:
C13H10N4O5S
Molecular Weight:
334.3073
IUPAC Name:
6-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C13H10N4O5S/c18-10-5-9(14-13(20)15-10)16-11(19)6-23-12(16)7-2-1-3-8(4-7)17(21)22/h1-5,12H,6H2,(H2,14,15,18,20)
InChI Key:
YUBYAIKBEFHDCV-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(c1)N1C(=O)CSC1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.037g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.306g/mol
Monoisotopic Mass:
334.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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