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Home > Nitro Compounds > 942474-31-9
942474-31-9 | 1-[4-(Ethylsulfonyl)-2-nitrophenyl]pyrrolidine
CAS No: 942474-31-9 Catalog No: AG01EZFJ MDL No:
Product Description
Catalog Number:
AG01EZFJ
Chemical Name:
1-[4-(Ethylsulfonyl)-2-nitrophenyl]pyrrolidine
CAS Number:
942474-31-9
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
IUPAC Name:
1-(4-ethylsulfonyl-2-nitrophenyl)pyrrolidine
InChI:
InChI=1S/C12H16N2O4S/c1-2-19(17,18)10-5-6-11(12(9-10)14(15)16)13-7-3-4-8-13/h5-6,9H,2-4,7-8H2,1H3
InChI Key:
OJNNTANAAFVGAH-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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