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Home > Nitro Compounds > 1045707-16-1
1045707-16-1 | 4-[(3-NITRO-1H-PYRAZOL-5-YL)CARBONYL]MORPHOLINE
CAS No: 1045707-16-1 Catalog No: AG01DX95 MDL No:MFCD02008653
Product Description
Catalog Number:
AG01DX95
Chemical Name:
4-[(3-NITRO-1H-PYRAZOL-5-YL)CARBONYL]MORPHOLINE
CAS Number:
1045707-16-1
Molecular Formula:
C8H10N4O4
Molecular Weight:
226.1894
MDL Number:
MFCD02008653
IUPAC Name:
morpholin-4-yl-(5-nitro-1H-pyrazol-3-yl)methanone
InChI:
InChI=1S/C8H10N4O4/c13-8(11-1-3-16-4-2-11)6-5-7(10-9-6)12(14)15/h5H,1-4H2,(H,9,10)
InChI Key:
QOIQUESODSAKTE-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]nc(c1)[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:
-0.2
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