769152-85-4
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
Name4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153494
【English Synonyms】
【Formula】
C24 H20 Br N3 O4
【MolWeight】
494.343
【Inchi】
InChI=1S/C24H20BrN3O4/c1-15-7-10-19(11-8-15)27-22(29)23(30)28-26-14-17-13-18(25)9-12-21(17)32-24(31)20-6-4-3-5-16(20)2/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
【InChIKey】
InChIKey=CWOYTPVBEDNCOI-VULFUBBASA-N
【SMILES】
Cc1ccc(cc1)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3C)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 2-METHYLBENZOATE.cml