10865226 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 35 35 35 35 35 35 35 13 13 8 6 6 1 1 1 1 2 3 4 5 6 7 10 11 11 11 11 12 8 8 8 9 9 9 12 12 13 14 15 1 1 1 1 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6.001 1.732 0 0.866 5.7326 4.0005 4.8665 0.866 4.8665 5.135 4.269 5.135 4.579 3.732 3.959 5 3.5185 3.5185 2.0185 1.5 1.5 0 3.0185 1 3.5 5 4.5 5.5369 5.31 4.4631 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 41 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037100402000001C10000000000000000000000000000000000000000000000000000000001A004000000100008080000200000000000800001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 acetyl bromide;tribromoalumane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 acetyl bromide;tribromoalumane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 acetyl bromide;tribromoalumane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 acetyl bromide;tribromoalumane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethanoyl bromide;tris(bromanyl)alumane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 acetyl bromide;tribromoalumane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H3BrO.2Al.6BrH/c1-2(3)4;;;;;;;;/h1H3;;;6*1H/q;2*+3;;;;;;/p-6 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DHGBTEFPVNJAKO-UHFFFAOYSA-H Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 655.40368 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H3Al2Br7O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 656.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)Br.[Al](Br)(Br)Br.[Al](Br)(Br)Br SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)Br.[Al](Br)(Br)Br.[Al](Br)(Br)Br Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 17.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 649.40983 12 0 0 0 0 0 0 0 3 -1