61179 1 2 3 4 5 6 7 8 35 35 35 35 6 6 1 1 1 2 3 4 5 6 6 5 5 5 6 6 7 8 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 2 2.366 3.366 4.5981 2.866 3.732 4.1306 3.3335 -0.5 0.866 -0.866 0 0 0.5 0.9749 0.9749 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 35.3 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 0000037100400000001C000000000000000000000000000000000000000000000000000000000018004000000140008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1,2-tetrabromoethane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1,2-tetrabromoethane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1,2-tetrabromoethane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1,2-tetrakis(bromanyl)ethane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 1,1,1,2-tetrabromoethane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C2H2Br4/c3-1-2(4,5)6/h1H2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 RVHSTXJKKZWWDQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 3.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 345.684905 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2H2Br4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 345.65328 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(Br)(Br)Br)Br SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(Br)(Br)Br)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 2012.02.08 341.688998 6 0 0 0 0 0 0 0 1 1