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Home > Nitro Compounds > 114485-83-5
114485-83-5 | 2-Pyrrolidinone, 5-ethoxy-1-[[2-(4-nitrophenyl)ethenyl]sulfonyl]-
CAS No: 114485-83-5 Catalog No: AG000EIN MDL No:
Product Description
Catalog Number:
AG000EIN
Chemical Name:
2-Pyrrolidinone, 5-ethoxy-1-[[2-(4-nitrophenyl)ethenyl]sulfonyl]-
CAS Number:
114485-83-5
Molecular Formula:
C14H16N2O6S
Molecular Weight:
340.3516
IUPAC Name:
5-ethoxy-1-[2-(4-nitrophenyl)ethenylsulfonyl]pyrrolidin-2-one
InChI:
InChI=1S/C14H16N2O6S/c1-2-22-14-8-7-13(17)15(14)23(20,21)10-9-11-3-5-12(6-4-11)16(18)19/h3-6,9-10,14H,2,7-8H2,1H3
InChI Key:
ZBKXCRFTMISRHG-UHFFFAOYSA-N
SMILES:
CCOC1CCC(=O)N1S(=O)(=O)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.35g/mol
Monoisotopic Mass:
340.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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