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Home > Nitro Compounds > 133387-34-5
133387-34-5 | 2,4-DIMORPHOLINONITROBENZENE
CAS No: 133387-34-5 Catalog No: AG003FUT MDL No:MFCD00546019
Product Description
Catalog Number:
AG003FUT
Chemical Name:
2,4-DIMORPHOLINONITROBENZENE
CAS Number:
133387-34-5
Molecular Formula:
C14H19N3O4
Molecular Weight:
293.3184
MDL Number:
MFCD00546019
IUPAC Name:
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
InChI:
InChI=1S/C14H19N3O4/c18-17(19)13-2-1-12(15-3-7-20-8-4-15)11-14(13)16-5-9-21-10-6-16/h1-2,11H,3-10H2
InChI Key:
JHXWNZPLYVFBSY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1N1CCOCC1)N1CCOCC1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.323g/mol
Monoisotopic Mass:
293.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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