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Home > Nitro Compounds > 16824-81-0
16824-81-0 | Phenol, 2,4,6-trinitro-, zinc salt (2:1)
CAS No: 16824-81-0 Catalog No: AG001XXX MDL No:
Product Description
Catalog Number:
AG001XXX
Chemical Name:
Phenol, 2,4,6-trinitro-, zinc salt (2:1)
CAS Number:
16824-81-0
Molecular Formula:
C12H4N6O14Zn
Molecular Weight:
521.5720
IUPAC Name:
zinc;2,4,6-trinitrophenolate
InChI:
InChI=1S/2C6H3N3O7.Zn/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;/q;;+2/p-2
InChI Key:
CJDKMIIOFVCHNV-UHFFFAOYSA-L
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])[O-].[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])[O-].[Zn+2]
EC Number:
240-848-0
UNII:
9JNG88GK4F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.908g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
521.572g/mol
Monoisotopic Mass:
519.908g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
321A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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