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Home > Nitro Compounds > 188666-09-3
188666-09-3 | Azetidine, 3,3-dinitro-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 188666-09-3 Catalog No: AG002H3H MDL No:
Product Description
Catalog Number:
AG002H3H
Chemical Name:
Azetidine, 3,3-dinitro-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
188666-09-3
Molecular Formula:
C9H8N6O11
Molecular Weight:
376.1934
IUPAC Name:
3,3-dinitroazetidine;2,4,6-trinitrophenol
InChI:
InChI=1S/C6H3N3O7.C3H5N3O4/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-5(8)3(6(9)10)1-4-2-3/h1-2,10H;4H,1-2H2
InChI Key:
CAIDCHXACVVVGC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(CNC1)[N+](=O)[O-].[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.025g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.194g/mol
Monoisotopic Mass:
376.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
261A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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