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Home > Nitro Compounds > 1803598-38-0
1803598-38-0 | 5-nitro-6-(1H-pyrazol-3-yl)piperidin-2-one
CAS No: 1803598-38-0 Catalog No: AG01BAD1 MDL No:MFCD28397600
Product Description
Catalog Number:
AG01BAD1
Chemical Name:
5-nitro-6-(1H-pyrazol-3-yl)piperidin-2-one
CAS Number:
1803598-38-0
Molecular Formula:
C8H10N4O3
Molecular Weight:
210.1900
MDL Number:
MFCD28397600
IUPAC Name:
5-nitro-6-(1H-pyrazol-5-yl)piperidin-2-one
InChI:
InChI=1S/C8H10N4O3/c13-7-2-1-6(12(14)15)8(10-7)5-3-4-9-11-5/h3-4,6,8H,1-2H2,(H,9,11)(H,10,13)
InChI Key:
NZLHLORKVZDLOG-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)c1n[nH]cc1)[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.193g/mol
Monoisotopic Mass:
210.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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