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Home > Nitro Compounds > 88743-51-5
88743-51-5 | Morpholine, 4-[1-(4-nitrophenyl)-4-phenyl-1H-pyrazol-5-yl]-
CAS No: 88743-51-5 Catalog No: AG004E12 MDL No:
Product Description
Catalog Number:
AG004E12
Chemical Name:
Morpholine, 4-[1-(4-nitrophenyl)-4-phenyl-1H-pyrazol-5-yl]-
CAS Number:
88743-51-5
Molecular Formula:
C19H18N4O3
Molecular Weight:
350.3712
IUPAC Name:
4-[2-(4-nitrophenyl)-4-phenylpyrazol-3-yl]morpholine
InChI:
InChI=1S/C19H18N4O3/c24-23(25)17-8-6-16(7-9-17)22-19(21-10-12-26-13-11-21)18(14-20-22)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChI Key:
LZDCZXQAWHQHBY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1ncc(c1N1CCOCC1)c1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.378g/mol
Monoisotopic Mass:
350.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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