769152-60-5
4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC24 H19 Br Cl N3 O4
1Identification
【Name】
4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153522
【English Synonyms】
【Formula】
C24 H19 Br Cl N3 O4
【MolWeight】
528.788
【Inchi】
InChI=1S/C24H19BrClN3O4/c1-2-15-3-10-20(11-4-15)28-22(30)23(31)29-27-14-17-13-18(25)7-12-21(17)33-24(32)16-5-8-19(26)9-6-16/h3-14H,2H2,1H3,(H,28,30)(H,29,31)/b27-14+
【InChIKey】
InChIKey=CDOKJRCWWZFAFP-MZJWZYIUSA-N
【SMILES】
CCc1ccc(cc1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)Cl)Br
【MOL File】
4-BR-2-(2-((4-ETHYLA….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
4-BR-2-(2-((4-ETHYLANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml