554442-49-8
4-[1-(4-FLUORO-PHENYL)-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YLIDENEMETHYL]-BENZOIC ACID
Name4-[1-(4-FLUORO-PHENYL)-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YLIDENEMETHYL]-BENZOIC ACID
1Identification
【Name】
4-[1-(4-FLUORO-PHENYL)-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YLIDENEMETHYL]-BENZOIC ACID
【CAS】
【MDL】
MFCD03989640
【English Synonyms】
【Formula】
C17 H11 F N2 O3 S
【MolWeight】
342.349
【Inchi】
InChI=1S/C17H11FN2O3S/c18-12-5-7-13(8-6-12)20-15(21)14(19-17(20)24)9-10-1-3-11(4-2-10)16(22)23/h1-9H,(H,19,24)(H,22,23)/b14-9+
【InChIKey】
InChIKey=JXKGAPJLRGRWDS-NTEUORMPSA-N
【SMILES】
c1cc(ccc1/C=C/2\C(=O)N(C(=S)N2)c3ccc(cc3)F)C(=O)O
【MOL File】
4-[1-(4-FLUORO-PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[1-(4-FLUORO-PHENYL)-5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YLIDENEMETHYL]-BENZOIC ACID.cml