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Home > Nitro Compounds > 114485-85-7
114485-85-7 | 2-Pyrrolidinone, 5-(1-methylethoxy)-1-[[2-(4-nitrophenyl)ethenyl]sulfonyl]-
CAS No: 114485-85-7 Catalog No: AG000EIM MDL No:
Product Description
Catalog Number:
AG000EIM
Chemical Name:
2-Pyrrolidinone, 5-(1-methylethoxy)-1-[[2-(4-nitrophenyl)ethenyl]sulfonyl]-
CAS Number:
114485-85-7
Molecular Formula:
C15H18N2O6S
Molecular Weight:
354.3782
IUPAC Name:
1-[2-(4-nitrophenyl)ethenylsulfonyl]-5-propan-2-yloxypyrrolidin-2-one
InChI:
InChI=1S/C15H18N2O6S/c1-11(2)23-15-8-7-14(18)16(15)24(21,22)10-9-12-3-5-13(6-4-12)17(19)20/h3-6,9-11,15H,7-8H2,1-2H3
InChI Key:
PUJCFQUNEIBKJP-UHFFFAOYSA-N
SMILES:
CC(OC1CCC(=O)N1S(=O)(=O)C=Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.377g/mol
Monoisotopic Mass:
354.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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