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Home > Nitro Compounds > 30707-79-0
30707-79-0 | 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-morpholinyl)-2-(4-nitrophenyl)-
CAS No: 30707-79-0 Catalog No: AG00310X MDL No:
Product Description
Catalog Number:
AG00310X
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-(4-morpholinyl)-2-(4-nitrophenyl)-
CAS Number:
30707-79-0
Molecular Formula:
C13H14N4O4
Molecular Weight:
290.2747
IUPAC Name:
5-morpholin-4-yl-2-(4-nitrophenyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C13H14N4O4/c18-13-9-12(15-5-7-21-8-6-15)14-16(13)10-1-3-11(4-2-10)17(19)20/h1-4H,5-9H2
InChI Key:
ATQHBJIOMUCHEA-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1c1ccc(cc1)[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.102g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.279g/mol
Monoisotopic Mass:
290.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Use of the NP-40 detergent-mediated assay in discovery of inhibitors of beta-hematin crystallization. | Antimicrobial agents and chemotherapy 20110701 |
| 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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