765275-25-0
4-BR-2-(2-((4-FLUOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BR-2-(2-((4-FLUOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC23 H17 Br F N3 O5
1Identification
【Name】
4-BR-2-(2-((4-FLUOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153761
【English Synonyms】
【Formula】
C23 H17 Br F N3 O5
【MolWeight】
514.305
【Inchi】
InChI=1S/C23H17BrFN3O5/c1-32-19-9-2-14(3-10-19)23(31)33-20-11-4-16(24)12-15(20)13-26-28-22(30)21(29)27-18-7-5-17(25)6-8-18/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
【InChIKey】
InChIKey=SJLUNUZFNRGIMT-LGJNPRDNSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3ccc(cc3)F)Br
【MOL File】
4-BR-2-(2-((4-FLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-FLUOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml