60967 1 2 3 4 5 6 7 8 35 35 35 35 35 6 6 1 1 2 3 4 5 6 7 6 6 6 7 7 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 3.732 2.866 3.732 3.732 -0.817 0.549 -1.183 -0.317 1.183 -0.317 0.183 -0.437 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 51.6 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 0 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 1,1,1,2,2-pentabromoethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2-pentabromoethane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2-pentabromoethane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2-pentabromoethane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2-pentakis(bromanyl)ethane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,1,2,2-pentabromoethane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2HBr5/c3-1(4)2(5,6)7/h1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OGVPXEPSTZMAFF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 423.59541 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2HBr5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 424.55 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(Br)(Br)Br)(Br)Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(Br)(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 2021.10.14 419.59951 7 0 0 0 0 0 0 0 1 -1