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Home > Nitro Compounds > 790232-34-7
790232-34-7 | 1-[3-nitro-4-(oxiran-2-ylmethoxy)benzenesulfonyl]pyrrolidine
CAS No: 790232-34-7 Catalog No: AG019JO2 MDL No:MFCD06356492
Product Description
Catalog Number:
AG019JO2
Chemical Name:
1-[3-nitro-4-(oxiran-2-ylmethoxy)benzenesulfonyl]pyrrolidine
CAS Number:
790232-34-7
Molecular Formula:
C13H16N2O6S
Molecular Weight:
328.3409
MDL Number:
MFCD06356492
IUPAC Name:
1-[3-nitro-4-(oxiran-2-ylmethoxy)phenyl]sulfonylpyrrolidine
InChI:
InChI=1S/C13H16N2O6S/c16-15(17)12-7-11(22(18,19)14-5-1-2-6-14)3-4-13(12)21-9-10-8-20-10/h3-4,7,10H,1-2,5-6,8-9H2
InChI Key:
SZHJMWNLFSPWAI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OCC1OC1)S(=O)(=O)N1CCCC1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.339g/mol
Monoisotopic Mass:
328.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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