769152-95-6
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153482
【English Synonyms】
【Formula】
C24 H20 Br N3 O4
【MolWeight】
494.343
【Inchi】
InChI=1S/C24H20BrN3O4/c1-15-6-9-20(10-7-15)27-22(29)23(30)28-26-14-18-13-19(25)8-11-21(18)32-24(31)17-5-3-4-16(2)12-17/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
【InChIKey】
InChIKey=CADQBSREVWYYAK-VULFUBBASA-N
【SMILES】
Cc1ccc(cc1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3cccc(c3)C)Br
【MOL File】
4-BROMO-2-(2-(OXO(4-….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-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml