70324488 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 15 8 8 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 -1 5 1 1 1 1 2 3 4 4 5 6 6 7 7 8 9 9 10 10 11 11 11 12 4 20 21 5 5 6 19 8 7 8 9 11 10 12 13 12 14 15 16 17 18 1 1 1 1 2 1 1 1 2 1 1 1 2 2 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 5.4641 2 2.866 4.5981 2.866 4.5981 5.4641 3.732 5.4641 3.732 6.3301 4.5981 6.001 3.1951 6.6401 6.8671 6.0201 4.5981 4.0611 5.4641 6.001 1.44 -0.56 0.94 0.94 -0.06 -0.06 -0.56 -0.56 -1.56 -1.56 -0.06 -2.06 -1.87 -1.87 -0.5969 0.25 0.4769 -2.68 1.25 2.06 1.13 8 8 8 8 8 8 6 6 7 8 9 10 7 8 9 10 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 171 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633002000000000000000000000000000000000000300000000000000000010000001C00148000100C0881180032C08050400081022442430082000020020028880000748A08602280919180200060808008C8071080000E00000040000200200000008000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-6-nitro-N-phosphanyl-aniline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-6-nitro-N-phosphinoaniline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-6-nitro-<I>N</I>-phosphanylaniline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-6-nitro-N-phosphanylaniline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-6-nitro-N-phosphanyl-aniline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2-methyl-6-nitro-phenyl)-phosphino-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H9N2O2P/c1-5-3-2-4-6(9(10)11)7(5)8-12/h2-4,8H,12H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HIOVKMLJABSXFV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.04016453 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H9N2O2P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.13 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=CC=C1)[N+](=O)[O-])NP SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=CC=C1)[N+](=O)[O-])NP Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.04016453 12 0 0 0 0 0 0 0 1 -1