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5-azanyl-4-nitro-2-(trifluoromethyl)phenol; methylphosphonic acid

5-azanyl-4-nitro-2-(trifluoromethyl)phenol; methylphosphonic acid

Systemtic Name:5-azanyl-4-nitro-2-(trifluoromethyl)phenol; methylphosphonic acid
Openeye Name:5-amino-4-nitro-2-(trifluoromethyl)phenol; methylphosphonic acid
CAS Name:5-amino-4-nitro-2-(trifluoromethyl)phenol; methylphosphonic acid
IUPAC Name:5-amino-4-nitro-2-(trifluoromethyl)phenol; methylphosphonic acid
Traditional Name:5-amino-4-nitro-2-(trifluoromethyl)phenol; methylphosphonic acid
Formula: C8H10F3N2O6P
MolecularWeight: 318.143771
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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(O)O.C1=C(C(=CC(=C1[N+](=O)[O-])N)O)C(F)(F)F


Isomeric SMILES

CP(=O)(O)O.C1=C(C(=CC(=C1[N+](=O)[O-])N)O)C(F)(F)F


InChI

InChI=1S/C7H5F3N2O3.CH5O3P/c8-7(9,10)3-1-5(12(14)15)4(11)2-6(3)13;1-5(2,3)4/h1-2,13H,11H2;1H3,(H2,2,3,4)


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