3059 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 9 9 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 6 6 6 7 7 8 8 9 9 10 10 11 12 12 13 14 15 15 16 16 11 17 13 25 18 26 18 7 8 9 11 12 10 19 14 20 13 18 15 16 21 14 22 17 23 17 24 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 2 1 1 2 1 1 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 24 25 26 6.8671 5.135 5.135 2.5369 3.403 5.135 5.135 4.269 6.001 4.269 6.001 4.269 5.135 6.001 6.001 4.269 5.135 3.403 3.732 6.538 3.732 6.538 6.538 3.732 5.672 2 0.655 3.655 -3.345 -1.845 -3.345 -0.345 0.655 -0.845 -0.845 -1.845 1.155 1.155 -2.345 -1.845 2.155 2.155 2.655 -2.345 -0.535 -0.535 0.845 -2.155 2.465 2.465 -3.655 -2.155 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 9 10 11 12 13 15 16 8 9 11 12 10 14 13 15 16 14 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 311 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703180000000000000000000000000000000000000306000000000000000014000001B00000800000C04809808300E80000200880220D208000200002420000888010608C808273682151280714025E01108998788C8F08EA0000200000800004000040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-benzoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HUPFGZXOMWLGNK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.04415044 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H8F2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 57.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.04415044 18 0 0 0 0 0 0 0 1 4