6588 1 2 3 4 5 6 7 8 35 35 35 35 6 6 1 1 1 2 3 4 5 5 6 5 5 6 6 6 7 8 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2 2.866 4.5981 3.732 2.866 3.732 2.866 3.732 0.25 -1.25 -0.25 1.25 -0.25 0.25 0.37 -0.37 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.5 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037100400000001C000000000000000000000000000000000000000000000000000000000018004000000140008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2-tetrabromoethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2-tetrabromoethane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2-tetrabromoethane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2-tetrabromoethane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2-tetrakis(bromanyl)ethane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,2-tetrabromoethane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QXSZNDIIPUOQMB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 345.68490 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H2Br4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 345.65 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(Br)Br)(Br)Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(Br)Br)(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 2021.10.14 341.68900 6 0 0 0 0 0 0 0 1 -1