31296 1 2 3 4 5 35 35 17 6 1 1 2 3 4 4 4 4 5 1 1 1 1 1 5 255 1 2 3 4 5 3.732 2 2.866 2.866 2.866 0.75 0.75 -0.75 0.25 0.87 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 13.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371000000000418000000000000000000000000000000000000000000000000000000000010024000000040000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibromo(chloro)methane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibromo(chloro)methane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibromo(chloro)methane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibromo(chloro)methane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(bromanyl)-chloranyl-methane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dibromo(chloro)methane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CHBr2Cl/c2-1(3)4/h1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GATVIKZLVQHOMN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 207.81130 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CHBr2Cl Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(Cl)(Br)Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(Cl)(Br)Br Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 205.81335 4 0 0 0 0 0 0 0 1 -1