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Home > Nitro Compounds > 14894-54-3
14894-54-3 | Pyrrolidine, 1,1'-[sulfonylbis(2-nitro-p-phenylene)]di- (8CI)
CAS No: 14894-54-3 Catalog No: AG001LB1 MDL No:
Product Description
Catalog Number:
AG001LB1
Chemical Name:
Pyrrolidine, 1,1'-[sulfonylbis(2-nitro-p-phenylene)]di- (8CI)
CAS Number:
14894-54-3
Molecular Formula:
C20H22N4O6S
Molecular Weight:
446.4769
IUPAC Name:
1-[2-nitro-4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylphenyl]pyrrolidine
InChI:
InChI=1S/C20H22N4O6S/c25-23(26)19-13-15(5-7-17(19)21-9-1-2-10-21)31(29,30)16-6-8-18(20(14-16)24(27)28)22-11-3-4-12-22/h5-8,13-14H,1-4,9-12H2
InChI Key:
ZBWLNBBUUFUSRS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccc(cc1[N+](=O)[O-])N1CCCC1)N1CCCC1
NSC Number:
143717
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.126g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.478g/mol
Monoisotopic Mass:
446.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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