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1134-85-6 | Phenol, 2-amino-4,6-dinitro-, monoammonium salt (8CI,9CI)
CAS No: 1134-85-6 Catalog No: AG0008FS MDL No:
Product Description
Catalog Number:
AG0008FS
Chemical Name:
Phenol, 2-amino-4,6-dinitro-, monoammonium salt (8CI,9CI)
CAS Number:
1134-85-6
Molecular Formula:
C6H9N4O5+
Molecular Weight:
217.1595
IUPAC Name:
azanium;2-amino-4,6-dinitrophenolate
InChI:
InChI=1S/C6H5N3O5.H3N/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;1H3
InChI Key:
QVQATLCZPOLIEI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O.[NH4+]
EC Number:
214-487-4
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.153g/mol
Monoisotopic Mass:
216.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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