769155-84-2
3-(2-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name3-(2-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
FormulaC21 H13 Cl2 F N2 O3
1Identification
【Name】
3-(2-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154424
【English Synonyms】
【Formula】
C21 H13 Cl2 F N2 O3
【MolWeight】
431.249
【Inchi】
InChI=1S/C21H13Cl2FN2O3/c22-15-6-9-18(19(23)11-15)21(28)29-17-3-1-2-13(10-17)12-25-26-20(27)14-4-7-16(24)8-5-14/h1-12H,(H,26,27)/b25-12+
【InChIKey】
InChIKey=CYXGSYGPKMUEMC-BRJLIKDPSA-N
【SMILES】
c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)/C=N/NC(=O)c3ccc(cc3)F
【MOL File】
3-(2-(4-FLUOROBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml