6550 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 17 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 4 5 5 6 6 7 7 8 8 7 8 5 6 5 6 7 8 9 10 11 12 13 14 15 16 1 1 1 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 2.634 2 4.5 3.5 4.5 3.5 3.5 2.5 5.12 4.5 2.88 3.5 4.1106 3.712 2.6077 1.9174 1.25 -1.116 -1.25 -0.25 -0.25 -1.25 0.75 -0.25 -0.25 0.37 -1.25 -1.87 0.6423 1.3326 0.3606 -0.0379 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.5 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0602000060000000000000000000000480000000000000000000000000000000000001A02000000000E03A080420000000004000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(chloromethyl)oxetane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(chloromethyl)oxetane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(chloromethyl)oxetane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(chloromethyl)oxetane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(chloromethyl)oxetane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(chloromethyl)oxetane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CXURGFRDGROIKG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 153.9952203 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H8Cl2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 155.02 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(CO1)(CCl)CCl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(CO1)(CCl)CCl 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 2021.10.14 153.9952203 8 0 0 0 0 0 0 0 1 1