6453349 1 2 3 26 17 8 1 3 2 -1 3 -2 1 5 255 1 2 3 2.866 2 3.732 -0.25 0.25 0.25 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371000020000400002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ferric;oxygen(2-);chloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(3+);oxygen(2-);chloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(3+);oxygen(2-);chloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(3+);oxygen(2-);chloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(3+);oxygen(2-);chloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ferric;oxygen(2-);chloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/ClH.Fe.O/h1H;;/q;+3;-2/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AFEXUNWJRCURNJ-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 106.898703 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 ClFeO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 107.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [O-2].[Cl-].[Fe+3] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [O-2].[Cl-].[Fe+3] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 106.898703 3 0 0 0 0 0 0 0 3 -1