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2-azanyl-6-(trifluoromethyl)benzoic acid trihydrate

2-azanyl-6-(trifluoromethyl)benzoic acid trihydrate

Systemtic Name:2-azanyl-6-(trifluoromethyl)benzoic acid trihydrate
Openeye Name:2-amino-6-(trifluoromethyl)benzoic acid trihydrate
CAS Name:2-amino-6-(trifluoromethyl)benzoic acid trihydrate
IUPAC Name:2-amino-6-(trifluoromethyl)benzoic acid trihydrate
Traditional Name:2-amino-6-(trifluoromethyl)benzoic acid trihydrate
Formula: C8H12F3NO5
MolecularWeight: 259.17979
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)N)C(=O)O)C(F)(F)F.O.O.O


Isomeric SMILES

C1=CC(=C(C(=C1)N)C(=O)O)C(F)(F)F.O.O.O


InChI

InChI=1S/C8H6F3NO2.3H2O/c9-8(10,11)4-2-1-3-5(12)6(4)7(13)14;;;/h1-3H,12H2,(H,13,14);3*1H2


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