62754 1 2 3 4 5 6 7 8 17 17 8 8 6 6 1 1 1 2 3 3 4 5 5 5 6 5 6 6 7 8 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 5.4641 2 3.732 2.866 4.5981 2.866 4.1996 4.9966 0.75 0.75 0.75 -0.75 0.25 0.25 -0.2249 -0.2249 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 53.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371004030000600000000000000000000000000000000000000000000000000000000000012020000000000000000420008000004000800000808000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloromethyl carbonochloridate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 carbonochloridic acid chloromethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloromethyl carbonochloridate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloromethyl carbonochloridate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloromethyl carbonochloridate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chlorocarbonic acid chloromethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H2Cl2O2/c3-1-6-2(4)5/h1H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JYWJULGYGOLCGW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 127.9431847 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H2Cl2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 128.94 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(OC(=O)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(OC(=O)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 127.9431847 6 0 0 0 0 0 0 0 1 -1