6349 1 2 3 4 5 6 35 12 6 1 1 1 1 -1 2 2 3 -1 1 2 3 3 3 2 3 4 5 6 7 7 1 1 1 1 5 255 1 2 3 4 5 6 4.269 3.403 2.5369 2 2.2269 2.8469 0 -0.5 0 0.31 -0.5369 0.5369 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4.8 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000000000010200000000000000000000000000000000000000000000000000000000010000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;carbanide;bromide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;carbanide;bromide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;carbanide;bromide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;carbanide;bromide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;carbanide;bromide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;carbanide;bromide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH3.BrH.Mg/h1H3;1H;/q-1;;+2/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NXPHGHWWQRMDIA-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 117.92685 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH3BrMg Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 119.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [CH3-].[Mg+2].[Br-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [CH3-].[Mg+2].[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 2021.10.14 117.92685 3 0 0 0 0 0 0 0 3 -1