769151-70-4
4-BR-2-(2-(((4-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BR-2-(2-(((4-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC24 H19 Br Cl N3 O4
1Identification
【Name】
4-BR-2-(2-(((4-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153644
【English Synonyms】
【Formula】
C24 H19 Br Cl N3 O4
【MolWeight】
528.788
【Inchi】
InChI=1S/C24H19BrClN3O4/c1-15-6-8-16(9-7-15)23(31)27-14-22(30)29-28-13-17-12-18(25)10-11-21(17)33-24(32)19-4-2-3-5-20(19)26/h2-13H,14H2,1H3,(H,27,31)(H,29,30)/b28-13+
【InChIKey】
InChIKey=QFGQXRPYEMNZLM-XODNFHPESA-N
【SMILES】
Cc1ccc(cc1)C(=O)NCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
4-BR-2-(2-(((4-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((4-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml