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Home > Nitro Compounds > 141363-80-6
141363-80-6 | 2,5-Oxazolidinedione, 3-[(2-nitrophenyl)thio]-4,4-dipropyl-
CAS No: 141363-80-6 Catalog No: AG001GBG MDL No:
Product Description
Catalog Number:
AG001GBG
Chemical Name:
2,5-Oxazolidinedione, 3-[(2-nitrophenyl)thio]-4,4-dipropyl-
CAS Number:
141363-80-6
Molecular Formula:
C15H18N2O5S
Molecular Weight:
338.3788
IUPAC Name:
3-(2-nitrophenyl)sulfanyl-4,4-dipropyl-1,3-oxazolidine-2,5-dione
InChI:
InChI=1S/C15H18N2O5S/c1-3-9-15(10-4-2)13(18)22-14(19)16(15)23-12-8-6-5-7-11(12)17(20)21/h5-8H,3-4,9-10H2,1-2H3
InChI Key:
ROAPTJVDSDKXMQ-UHFFFAOYSA-N
SMILES:
CCCC1(CCC)C(=O)OC(=O)N1Sc1ccccc1[N+](=O)[O-]
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.094g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.378g/mol
Monoisotopic Mass:
338.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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