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Home > Nitro Compounds > 671191-99-4
671191-99-4 | 1-(3-NITRO(PYRIDIN-2-YL))PIPERIDINE-4-CARBONITRILE
CAS No: 671191-99-4 Catalog No: AG005R4O MDL No:MFCD00106383
Product Description
Catalog Number:
AG005R4O
Chemical Name:
1-(3-NITRO(PYRIDIN-2-YL))PIPERIDINE-4-CARBONITRILE
CAS Number:
671191-99-4
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
MDL Number:
MFCD00106383
IUPAC Name:
1-(3-nitropyridin-2-yl)piperidine-4-carbonitrile
InChI:
InChI=1S/C11H12N4O2/c12-8-9-3-6-14(7-4-9)11-10(15(16)17)2-1-5-13-11/h1-2,5,9H,3-4,6-7H2
InChI Key:
UEXODVNTPRVAEL-UHFFFAOYSA-N
SMILES:
N#CC1CCN(CC1)c1ncccc1[N+](=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.243g/mol
Monoisotopic Mass:
232.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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