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Home > Nitro Compounds > 165402-19-7
165402-19-7 | Phenol, 2-[1-(4-morpholinyl)-3-phenyl-2-propyn-1-yl]-4-nitro-
CAS No: 165402-19-7 Catalog No: AG001W4T MDL No:
Product Description
Catalog Number:
AG001W4T
Chemical Name:
Phenol, 2-[1-(4-morpholinyl)-3-phenyl-2-propyn-1-yl]-4-nitro-
CAS Number:
165402-19-7
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
IUPAC Name:
2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)-4-nitrophenol
InChI:
InChI=1S/C19H18N2O4/c22-19-9-7-16(21(23)24)14-17(19)18(20-10-12-25-13-11-20)8-6-15-4-2-1-3-5-15/h1-5,7,9,14,18,22H,10-13H2
InChI Key:
NNUMAVFPEBRJND-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C(N1CCOCC1)C#Cc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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