123272 1 2 3 4 5 6 7 8 9 17 17 8 8 8 8 8 8 8 1 1 1 1 2 2 2 2 3 4 5 6 3 7 8 9 1 2 2 2 1 2 2 2 1 5 255 1 2 3 4 5 6 7 8 9 2.866 4.5981 3.732 2 2.366 3.366 5.4641 5.0981 4.0981 0 0 0.5 -0.5 0.866 -0.866 -0.5 0.866 -0.866 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 283 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000038000600000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 perchloryl perchlorate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 perchloric acid perchloryl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 perchloryl perchlorate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 perchloryl perchlorate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 perchloryl perchlorate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 perchloric acid perchloryl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Cl2O7/c3-1(4,5)9-2(6,7)8 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SCDFUIZLRPEIIH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 181.9021077 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Cl2O7 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 182.90 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O=Cl(=O)(=O)OCl(=O)(=O)=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O=Cl(=O)(=O)OCl(=O)(=O)=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 112 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 181.9021077 9 0 0 0 0 0 0 0 1 -1