57252534 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 9 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 5 1 1 1 1 1 1 1 1 5 1 6 1 1 2 2 3 3 4 5 5 6 6 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 19 20 4 9 21 10 21 21 7 15 8 16 11 13 12 14 17 22 18 23 19 24 20 25 17 19 18 20 26 27 28 29 1 1 1 1 1 1 3 1 3 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 5.4641 2.866 3.732 4.5981 2.866 7.1962 2.866 8.0622 2.866 4.5981 2 5.4641 3.732 4.5981 2.866 6.3301 2 6.3301 3.732 5.4641 3.732 1.4631 5.4641 4.269 4.0611 1.4631 6.8671 4.269 5.4641 1 0.5 2 0.5 -3.5 4 -4.5 4.5 -0.5 2.5 -1 2 -1 3.5 -2.5 3.5 -2 2.5 -2 4 1 -0.69 1.38 -0.69 3.81 -2.31 2.19 -2.31 4.62 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 10 11 12 13 14 15 15 16 16 11 13 12 14 17 18 19 20 17 19 18 20 2 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 383 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C273B100000000000000000000000000000000000000306000000000000000014000081E0008000000080C81900030C680000000800024424000820000202200088800066C8808262280919380300064C01108C807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-diazoniophenoxy)-fluorooxy-boranyl]oxybenzenediazonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-diazoniophenoxy)-fluorooxyboranyl]oxybenzenediazonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-diazoniophenoxy)-fluorooxyboranyl]oxybenzenediazonium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-diazoniophenoxy)-fluorooxyboranyl]oxybenzenediazonium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-diazoniophenoxy)-fluoranyloxy-boranyl]oxybenzenediazonium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[(4-diazoniophenoxy)-fluorooxy-boranyl]oxybenzenediazonium InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H8BFN4O3/c14-21-13(19-11-5-1-9(17-15)2-6-11)20-12-7-3-10(18-16)4-8-12/h1-8H/q+2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YGNMHRHMLGONPH-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.0673485 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H8BFN4O3+2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.03 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 B(OC1=CC=C(C=C1)[N+]#N)(OC2=CC=C(C=C2)[N+]#N)OF SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 B(OC1=CC=C(C=C1)[N+]#N)(OC2=CC=C(C=C2)[N+]#N)OF Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 84 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.0673485 21 0 0 0 0 0 0 0 1 -1