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4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid

4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid

Systemtic Name:4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid
Openeye Name:4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid
CAS Name:4-[3-(trifluoromethyl)-3-diazirinyl]benzoic acid
IUPAC Name:4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid
Traditional Name:4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid
Formula: C9H5F3N2O2
MolecularWeight: 232.135952
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C2(N=N2)C(F)(F)F


Isomeric SMILES

C1=CC(=CC=C1[14C](=O)O)C2(N=N2)C(F)(F)F


InChI

InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)/i7+2


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