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Home > Nitro Compounds > 1092683-48-1
1092683-48-1 | (3-nitro-1H-pyrazol-5-yl)-(1-piperidyl)methanone
CAS No: 1092683-48-1 Catalog No: AG019DE4 MDL No:MFCD02008648
Product Description
Catalog Number:
AG019DE4
Chemical Name:
(3-nitro-1H-pyrazol-5-yl)-(1-piperidyl)methanone
CAS Number:
1092683-48-1
Molecular Formula:
C9H12N4O3
Molecular Weight:
224.2166
MDL Number:
MFCD02008648
IUPAC Name:
(5-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C9H12N4O3/c14-9(12-4-2-1-3-5-12)7-6-8(11-10-7)13(15)16/h6H,1-5H2,(H,10,11)
InChI Key:
AGGSYJVTLPKCFW-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]nc(c1)[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.22g/mol
Monoisotopic Mass:
224.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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