767310-55-4
4-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-MEO-PH 3-BROMOBENZOATE
Name4-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-MEO-PH 3-BROMOBENZOATE
FormulaC24 H19 Br Cl N3 O5
1Identification
【Name】
4-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-MEO-PH 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05720876
【English Synonyms】
【Formula】
C24 H19 Br Cl N3 O5
【MolWeight】
544.787
【Inchi】
InChI=1S/C24H19BrClN3O5/c1-14-6-8-18(12-19(14)26)28-22(30)23(31)29-27-13-15-7-9-20(21(10-15)33-2)34-24(32)16-4-3-5-17(25)11-16/h3-13H,1-2H3,(H,28,30)(H,29,31)/b27-13+
【InChIKey】
InChIKey=DHEHMCOBRYBPSB-UVHMKAGCSA-N
【SMILES】
Cc1ccc(cc1Cl)NC(=O)C(=O)N/N=C/c2ccc(c(c2)OC)OC(=O)c3cccc(c3)Br
【MOL File】
4-(2-((3-CL-4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((3-CL-4-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-MEO-PH 3-BROMOBENZOATE.cml