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Home > Nitro Compounds > 200069-07-4
200069-07-4 | Azetidine, 1-(2,4-dinitrophenyl)-3,3-dinitro-
CAS No: 200069-07-4 Catalog No: AG002CIB MDL No:
Product Description
Catalog Number:
AG002CIB
Chemical Name:
Azetidine, 1-(2,4-dinitrophenyl)-3,3-dinitro-
CAS Number:
200069-07-4
Molecular Formula:
C9H7N5O8
Molecular Weight:
313.1806
IUPAC Name:
1-(2,4-dinitrophenyl)-3,3-dinitroazetidine
InChI:
InChI=1S/C9H7N5O8/c15-11(16)6-1-2-7(8(3-6)12(17)18)10-4-9(5-10,13(19)20)14(21)22/h1-3H,4-5H2
InChI Key:
CIBQEOJPBFGTRZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CC(C1)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.029g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.182g/mol
Monoisotopic Mass:
313.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 1-(2,4-Dinitro-phen-yl)-3,3-dinitro-azetidine. | Acta crystallographica. Section E, Structure reports online 20091201 |
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