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Home > Nitro Compounds > 79331-03-6
79331-03-6 | 2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS No: 79331-03-6 Catalog No: AG005KDR MDL No:
Product Description
Catalog Number:
AG005KDR
Chemical Name:
2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS Number:
79331-03-6
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
IUPAC Name:
(2E)-2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C14H14N2O3/c17-14-11-5-7-15(8-6-11)13(14)9-10-1-3-12(4-2-10)16(18)19/h1-4,9,11H,5-8H2/b13-9+
InChI Key:
WYLOZSIGADKNRC-UKTHLTGXSA-N
SMILES:
O=C1C2CCN(C1=Cc1ccc(cc1)[N+](=O)[O-])CC2
NSC Number:
170529
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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