767305-65-7
3-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name3-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
3-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05720956
【English Synonyms】
【Formula】
C23 H16 Cl3 N3 O4
【MolWeight】
504.755
【Inchi】
InChI=1S/C23H16Cl3N3O4/c1-13-5-7-16(11-19(13)25)28-21(30)22(31)29-27-12-14-3-2-4-17(9-14)33-23(32)18-8-6-15(24)10-20(18)26/h2-12H,1H3,(H,28,30)(H,29,31)/b27-12+
【InChIKey】
InChIKey=JIMPANUFPVLTAH-KKMKTNMSSA-N
【SMILES】
Cc1ccc(cc1Cl)NC(=O)C(=O)N/N=C/c2cccc(c2)OC(=O)c3ccc(cc3Cl)Cl
【MOL File】
3-(2-((3-CL-4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml