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Home > Nitro Compounds > 866149-55-5
866149-55-5 | (2Z)-2-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}-1-azabicyclo[2.2.2]octan-3-one
CAS No: 866149-55-5 Catalog No: AG00IRJM MDL No:MFCD05668947
Product Description
Catalog Number:
AG00IRJM
Chemical Name:
(2Z)-2-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}-1-azabicyclo[2.2.2]octan-3-one
CAS Number:
866149-55-5
Molecular Formula:
C18H21N3O4
Molecular Weight:
343.3770
MDL Number:
MFCD05668947
IUPAC Name:
2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C18H21N3O4/c22-18-13-3-5-19(6-4-13)17(18)12-14-11-15(21(23)24)1-2-16(14)20-7-9-25-10-8-20/h1-2,11-13H,3-10H2
InChI Key:
KWWHXKRSBUICBO-UHFFFAOYSA-N
SMILES:
O=C1C2CCN(/C/1=C\c1cc(ccc1N1CCOCC1)[N+](=O)[O-])CC2
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.383g/mol
Monoisotopic Mass:
343.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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