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90521-89-4 | 1-[(5-nitro-1h-imidazol-4-yl)carbonyl]piperidine
CAS No: 90521-89-4 Catalog No: AG006CP7 MDL No:
Product Description
Catalog Number:
AG006CP7
Chemical Name:
1-[(5-nitro-1h-imidazol-4-yl)carbonyl]piperidine
CAS Number:
90521-89-4
Molecular Formula:
C9H12N4O3
Molecular Weight:
224.2166
IUPAC Name:
(5-nitro-1H-imidazol-4-yl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C9H12N4O3/c14-9(12-4-2-1-3-5-12)7-8(13(15)16)11-6-10-7/h6H,1-5H2,(H,10,11)
InChI Key:
KRZNXKVCPFAPKX-UHFFFAOYSA-N
SMILES:
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCCCC1
NSC Number:
44108
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:
0.9
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