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Home > Nitro Compounds > 14894-53-2
14894-53-2 | Morpholine, 4,4'-[sulfonylbis(2-nitro-p-phenylene)]di- (8CI)
CAS No: 14894-53-2 Catalog No: AG001LB2 MDL No:
Product Description
Catalog Number:
AG001LB2
Chemical Name:
Morpholine, 4,4'-[sulfonylbis(2-nitro-p-phenylene)]di- (8CI)
CAS Number:
14894-53-2
Molecular Formula:
C20H22N4O8S
Molecular Weight:
478.4757
IUPAC Name:
4-[4-(4-morpholin-4-yl-3-nitrophenyl)sulfonyl-2-nitrophenyl]morpholine
InChI:
InChI=1S/C20H22N4O8S/c25-23(26)19-13-15(1-3-17(19)21-5-9-31-10-6-21)33(29,30)16-2-4-18(20(14-16)24(27)28)22-7-11-32-12-8-22/h1-4,13-14H,5-12H2
InChI Key:
QPGLEWVICRIDCQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccc(cc1[N+](=O)[O-])N1CCOCC1)N1CCOCC1
NSC Number:
141681
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.116g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.476g/mol
Monoisotopic Mass:
478.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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