66684 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 30 31 32 33 34 17 17 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 -1 2 -1 5 1 6 1 3 3 4 4 5 5 6 6 9 9 9 10 10 11 11 12 12 13 13 14 14 15 16 17 18 19 20 21 21 21 22 22 22 15 21 16 22 7 17 8 18 10 11 13 12 14 15 23 16 24 19 25 20 26 17 18 19 20 27 28 29 30 31 32 33 34 1 1 1 1 3 1 3 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 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 30 31 32 33 34 3.732 5.4641 6.3301 2.866 4.5981 4.5981 5.4641 3.732 4.5981 4.5981 5.4641 3.732 3.732 5.4641 5.4641 3.732 4.5981 4.5981 3.732 5.4641 7.1962 2 6.001 3.1951 3.1951 6.001 3.1951 6.001 6.8862 7.7331 7.5062 2.31 1.4631 1.69 4 -4 2.5 -2.5 3.5 -3.5 4 -4 0.5 -0.5 1 -1 1 -1 2 -2 2.5 -2.5 2 -2 2 -2 0.69 -0.69 0.69 -0.69 2.31 -2.31 1.4631 1.69 2.5369 -1.4631 -1.69 -2.5369 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 10 11 12 13 14 15 16 17 18 11 13 12 14 15 16 19 20 17 18 19 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 383 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073B000060000000000000000000000000000000000306000000000000000014000001E00080000000C0C81980232C680000400800224424000820800202200088800076C880E262284B19B81302064C01108E80790C0F00E88000100000010001000020000002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-diazonio-3-methoxy-phenyl)-2-methoxy-benzenediazonium;dichloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-diazonio-3-methoxyphenyl)-2-methoxybenzenediazonium;dichloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-diazonio-3-methoxyphenyl)-2-methoxybenzenediazonium;dichloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-diazonio-3-methoxyphenyl)-2-methoxybenzenediazonium;dichloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-diazonio-3-methoxy-phenyl)-2-methoxy-benzenediazonium;dichloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-diazonio-3-methoxy-phenyl)-2-methoxy-benzenediazonium;dichloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12N4O2.2ClH/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2;;/h3-8H,1-2H3;2*1H/q+2;;/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LHYQAEFVHIZFLR-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 338.0337310 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12Cl2N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 339.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]#N)OC)[N+]#N.[Cl-].[Cl-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]#N)OC)[N+]#N.[Cl-].[Cl-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 338.0337310 22 0 0 0 0 0 0 0 3 -1