17865 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 33 17 8 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 3 3 4 4 5 5 6 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 2 4 5 6 7 6 8 7 9 10 11 12 16 13 17 15 18 14 19 15 20 14 21 23 22 1 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 1 2 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 4.666 4.666 4.666 5.5321 3.8 5.5321 3.8 6.426 2.9061 6.426 2.9061 7.3321 2 2 7.3321 6.4188 2.9132 6.4188 2.9132 7.8678 1.4643 7.8678 1.4643 0.5173 1.5173 -1.4827 0.0173 0.0173 -0.9827 -0.9827 0.552 0.552 -1.5173 -1.5173 0.0381 0.0381 -1.0035 -1.0035 1.172 1.172 -2.1373 -2.1373 0.3502 0.3502 -1.3156 -1.3156 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 7 8 9 10 11 12 13 6 8 7 9 10 11 12 13 15 14 15 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 214 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 00000371C0702000040000004000000000000000000000000000346080000000000000914000001A01000000000804809000300680000400800020420000020800202000088C000608880C262284311A823820A4C01108A8078040000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 10-chlorophenoxarsinine IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 10-chlorophenoxarsinine IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 10-chlorophenoxarsinine IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 10-chloranylphenoxarsinine IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 10-chlorophenoxarsinine InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C12H8AsClO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 RUZFPOBOXIDMSZ-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 277.947964 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C12H8AsClO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 278.56592 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 9.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 277.947964 15 0 0 0 0 0 0 0 1 1