24380 1 2 3 4 26 17 17 17 1 1 1 2 3 4 1 1 1 1 5 255 1 2 3 4 2.866 3.732 2 2.866 0.25 0.75 0.75 -0.75 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000000000600002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 trichloroiron IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 trichloroiron IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 trichloroiron IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 tris(chloranyl)iron IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 trichloroiron InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 RBTARNINKXHZNM-UHFFFAOYSA-K Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 160.841496 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 Cl3Fe Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 162.204 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 Cl[Fe](Cl)Cl SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 Cl[Fe](Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 160.841496 4 0 0 0 0 0 0 0 1 1