11062022 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 35 35 35 35 35 35 35 35 35 17 17 17 17 13 13 13 6 1 2 3 4 5 6 7 8 9 10 11 12 13 14 14 14 15 15 15 16 16 16 17 17 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 0.866 1.732 0 3.732 5.4641 4.5981 5.4641 3.732 4.5981 1.732 0 0.366 1.366 0.866 4.5981 4.5981 0.866 0 1.5 1.5 1.616 1.616 0.116 5.116 5.116 3.616 4.866 3.866 5.232 3.5 1 1.116 4.616 4.366 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 27.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0000037100000000071C100000000000000000000000000000000000000000000000000000000000020000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 carbon tetrachloride;tribromoalumane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 tetrachloromethane;tribromoalumane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 tetrachloromethane;tribromoalumane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 tetrachloromethane;tribromoalumane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 tetrakis(chloranyl)methane;tris(bromanyl)alumane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 carbon tetrachloride;tribromoalumane InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/CCl4.3Al.9BrH/c2-1(3,4)5;;;;;;;;;;;;/h;;;;9*1H/q;3*+3;;;;;;;;;/p-9 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZLQKFNSDDBLGCW-UHFFFAOYSA-E Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 953.07392 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 CAl3Br9Cl4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 953.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(Cl)(Cl)(Cl)Cl.[Al](Br)(Br)Br.[Al](Br)(Br)Br.[Al](Br)(Br)Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(Cl)(Cl)(Cl)Cl.[Al](Br)(Br)Br.[Al](Br)(Br)Br.[Al](Br)(Br)Br Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 943.08506 17 0 0 0 0 0 0 0 4 -1