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Home > Nitro Compounds > 1803599-39-4
1803599-39-4 | 4-[3-nitro-4-(piperazin-1-yl)benzenesulfonyl]morpholine hydrochloride
CAS No: 1803599-39-4 Catalog No: AG019L6J MDL No:MFCD28145647
Product Description
Catalog Number:
AG019L6J
Chemical Name:
4-[3-nitro-4-(piperazin-1-yl)benzenesulfonyl]morpholine hydrochloride
CAS Number:
1803599-39-4
Molecular Formula:
C14H21ClN4O5S
Molecular Weight:
392.8583
MDL Number:
MFCD28145647
IUPAC Name:
4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine;hydrochloride
InChI:
InChI=1S/C14H20N4O5S.ClH/c19-18(20)14-11-12(24(21,22)17-7-9-23-10-8-17)1-2-13(14)16-5-3-15-4-6-16;/h1-2,11,15H,3-10H2;1H
InChI Key:
STPLJKMZJPSCAD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCNCC1)S(=O)(=O)N1CCOCC1.Cl
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.092g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.855g/mol
Monoisotopic Mass:
392.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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