769152-74-1
4-BROMO-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BROMO-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD03328660
【English Synonyms】
【Formula】
C29 H23 Br N2 O4
【MolWeight】
543.415
【Inchi】
InChI=1S/C29H23BrN2O4/c1-20-7-9-21(10-8-20)19-35-26-14-11-22(12-15-26)28(33)32-31-18-24-17-25(30)13-16-27(24)36-29(34)23-5-3-2-4-6-23/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=QWCYJDWJJNBBGK-FDAWAROLSA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3cc(ccc3OC(=O)c4ccccc4)Br
【MOL File】
4-BROMO-2-(2-(4-((4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml