21004 1 2 3 4 5 6 7 8 9 17 17 8 6 6 1 1 1 1 1 2 3 3 4 5 5 5 4 4 4 5 6 7 8 9 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 2 2.866 3.732 2.866 4.5981 2.866 4.2881 5.135 4.9081 0.75 -0.75 0.75 0.25 0.25 0.87 -0.2869 -0.06 0.7869 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371804020000600000000000000000000000000000000000000000000000000000000000012020000000000000000C20200000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloro(methoxy)methane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloro(methoxy)methane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloro(methoxy)methane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloro(methoxy)methane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(chloranyl)-methoxy-methane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dichloro(methoxy)methane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GRTGGSXWHGKRSB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 113.9639201 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H4Cl2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 114.96 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC(Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC(Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 9.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 113.9639201 5 0 0 0 0 0 0 0 1 1