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Home > Nitro Compounds > 165402-16-4
165402-16-4 | Phenol, 2-(di-4-morpholinylmethyl)-4-nitro-
CAS No: 165402-16-4 Catalog No: AG001W4U MDL No:
Product Description
Catalog Number:
AG001W4U
Chemical Name:
Phenol, 2-(di-4-morpholinylmethyl)-4-nitro-
CAS Number:
165402-16-4
Molecular Formula:
C15H21N3O5
Molecular Weight:
323.3443
IUPAC Name:
2-(dimorpholin-4-ylmethyl)-4-nitrophenol
InChI:
InChI=1S/C15H21N3O5/c19-14-2-1-12(18(20)21)11-13(14)15(16-3-7-22-8-4-16)17-5-9-23-10-6-17/h1-2,11,15,19H,3-10H2
InChI Key:
MDJXYRSEWSVFDK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C(N1CCOCC1)N1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.349g/mol
Monoisotopic Mass:
323.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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