7839 1 2 3 4 5 6 7 8 35 35 6 6 1 1 1 1 1 2 3 3 3 4 4 3 4 4 5 6 7 8 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2 4.5981 2.866 3.732 2.4675 3.2646 4.1306 3.3335 0.25 -0.25 -0.25 0.25 -0.7249 -0.7249 0.7249 0.7249 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371804000000018000000000000000000000000000000000000000000000000000000000018004000000140008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-dibromoethane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-dibromoethane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-dibromoethane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-bis(bromanyl)ethane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 1,2-dibromoethane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 PAAZPARNPHGIKF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 187.865928 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2H4Br2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 187.86116 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(CBr)Br SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(CBr)Br Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 185.867974 4 0 0 0 0 0 0 0 1 1