769152-12-7
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153584
【English Synonyms】
【Formula】
C24 H20 Br N3 O5
【MolWeight】
510.342
【Inchi】
InChI=1S/C24H20BrN3O5/c1-15-3-8-19(9-4-15)27-22(29)23(30)28-26-14-17-13-18(25)7-12-21(17)33-24(31)16-5-10-20(32-2)11-6-16/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
【InChIKey】
InChIKey=YEFIVOYJVOEVQM-VULFUBBASA-N
【SMILES】
Cc1ccc(cc1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)OC)Br
【MOL File】
4-BROMO-2-(2-(OXO(4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml