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Home > Nitro Compounds > 338411-72-6
338411-72-6 | 1-(3-nitropyridin-2-yl)piperidin-4-one
CAS No: 338411-72-6 Catalog No: AG00IOLY MDL No:MFCD00231510
Product Description
Catalog Number:
AG00IOLY
Chemical Name:
1-(3-nitropyridin-2-yl)piperidin-4-one
CAS Number:
338411-72-6
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
MDL Number:
MFCD00231510
IUPAC Name:
1-(3-nitropyridin-2-yl)piperidin-4-one
InChI:
InChI=1S/C10H11N3O3/c14-8-3-6-12(7-4-8)10-9(13(15)16)2-1-5-11-10/h1-2,5H,3-4,6-7H2
InChI Key:
BOBGISYVOBYUKA-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1ncccc1[N+](=O)[O-]
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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