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Home > Nitro Compounds > 89612-11-3
89612-11-3 | 5-Thiazolidinone, 2-imino-3-(4-nitrophenyl)-
CAS No: 89612-11-3 Catalog No: AG003XDN MDL No:
Product Description
Catalog Number:
AG003XDN
Chemical Name:
5-Thiazolidinone, 2-imino-3-(4-nitrophenyl)-
CAS Number:
89612-11-3
Molecular Formula:
C9H7N3O3S
Molecular Weight:
237.2352
IUPAC Name:
2-imino-3-(4-nitrophenyl)-1,3-thiazolidin-5-one
InChI:
InChI=1S/C9H7N3O3S/c10-9-11(5-8(13)16-9)6-1-3-7(4-2-6)12(14)15/h1-4,10H,5H2
InChI Key:
XJCGKXGQQATYPA-UHFFFAOYSA-N
SMILES:
O=C1SC(=N)N(C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.233g/mol
Monoisotopic Mass:
237.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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