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Home > Nitro Compounds > 20926-59-4
20926-59-4 | 3-Azabicyclo[3.2.2]nonane, 3-(5-methyl-5-nitro-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-
CAS No: 20926-59-4 Catalog No: AG002K5S MDL No:
Product Description
Catalog Number:
AG002K5S
Chemical Name:
3-Azabicyclo[3.2.2]nonane, 3-(5-methyl-5-nitro-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-
CAS Number:
20926-59-4
Molecular Formula:
C12H21N2O5P
Molecular Weight:
304.2793
IUPAC Name:
2-(3-azabicyclo[3.2.2]nonan-3-yl)-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C12H21N2O5P/c1-12(14(15)16)8-18-20(17,19-9-12)13-6-10-2-3-11(7-13)5-4-10/h10-11H,2-9H2,1H3
InChI Key:
WKLOKZZLHAGVKA-UHFFFAOYSA-N
SMILES:
CC1(COP(=O)(OC1)N1CC2CCC(C1)CC2)[N+](=O)[O-]
NSC Number:
94248
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.283g/mol
Monoisotopic Mass:
304.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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