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Home > Nitro Compounds > 16220-73-8
16220-73-8 | Proline, 1-(2,4-dinitrophenyl)-4-hydroxy-, methyl ester, p-toluenesulfonate (ester), L- (8CI)
CAS No: 16220-73-8 Catalog No: AG001SVP MDL No:
Product Description
Catalog Number:
AG001SVP
Chemical Name:
Proline, 1-(2,4-dinitrophenyl)-4-hydroxy-, methyl ester, p-toluenesulfonate (ester), L- (8CI)
CAS Number:
16220-73-8
Molecular Formula:
C19H19N3O9S
Molecular Weight:
465.4339
IUPAC Name:
methyl 1-(2,4-dinitrophenyl)-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carboxylate
InChI:
InChI=1S/C19H19N3O9S/c1-12-3-6-15(7-4-12)32(28,29)31-14-10-18(19(23)30-2)20(11-14)16-8-5-13(21(24)25)9-17(16)22(26)27/h3-9,14,18H,10-11H2,1-2H3
InChI Key:
GGDHRBZBKSCHGZ-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1CC(CN1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OS(=O)(=O)c1ccc(cc1)C
NSC Number:
116837
Properties
Complexity:
811
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.084g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.433g/mol
Monoisotopic Mass:
465.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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