6332 1 2 3 4 5 6 7 8 35 6 6 1 1 1 1 1 1 2 2 2 3 3 3 2 3 4 5 6 7 8 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 3.732 2.866 2 2.4675 3.2646 2.31 1.4631 1.69 0.25 -0.25 0.25 -0.7249 -0.7249 0.7869 0.56 -0.2869 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 2.8 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 00000371804000000010000000000000000000000000000000000000000000000000000000000018004000000140008000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 bromoethane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 bromoethane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 bromoethane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 bromanylethane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 bromoethane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C2H5Br/c1-2-3/h2H2,1H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 RDHPKYGYEGBMSE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 107.957462 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2H5Br Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 108.9651 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CCBr SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CCBr 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 2012.02.08 107.957462 3 0 0 0 0 0 0 0 1 1