58657894 1 2 3 4 5 6 7 8 104 35 35 6 6 1 1 1 4 -1 1 2 3 4 4 5 5 4 4 5 5 6 7 8 6 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2 2.366 4.5981 2.866 3.732 3.176 4.1306 3.3335 -0.6645 0.7015 -0.1645 -0.1645 0.3355 -0.7015 0.8104 0.8104 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 11.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371004000000018000000000000000000000000000000000000000000000000000000000018004000000140008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dibromoethane;rutherfordium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dibromoethane;rutherfordium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dibromoethane;rutherfordium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dibromoethane;rutherfordium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-bis(bromanyl)ethane;rutherfordium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dibromoethane;rutherfordium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H3Br2.Rf/c3-1-2-4;/h1H,2H2;/q-1; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XWGAZKYMBFLICN-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 453.980 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H3Br2Rf- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 453.97 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C([CH-]Br)Br.[Rf] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C([CH-]Br)Br.[Rf] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 451.982 5 0 0 0 0 0 0 0 2 -1