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Home > Nitro Compounds > 414906-50-6
414906-50-6 | MORPHOLIN-4-YL-(4-NITRO-1H-PYRAZOL-3-YL)-METHANONE
CAS No: 414906-50-6 Catalog No: AG01AOPR MDL No:MFCD24540531
Product Description
Catalog Number:
AG01AOPR
Chemical Name:
MORPHOLIN-4-YL-(4-NITRO-1H-PYRAZOL-3-YL)-METHANONE
CAS Number:
414906-50-6
Molecular Formula:
C8H10N4O4
Molecular Weight:
226.1894
MDL Number:
MFCD24540531
IUPAC Name:
morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone
InChI:
InChI=1S/C8H10N4O4/c13-8(11-1-3-16-4-2-11)7-6(12(14)15)5-9-10-7/h5H,1-4H2,(H,9,10)
InChI Key:
BDGUBBIJHWFIRT-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.192g/mol
Monoisotopic Mass:
226.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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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