349485-89-8
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD00312430
【English Synonyms】
【Formula】
C29 H23 Br N2 O4
【MolWeight】
543.415
【Inchi】
InChI=1S/C29H23BrN2O4/c1-20-6-8-22(9-7-20)19-35-24-16-12-23(13-17-24)28(33)32-31-18-21-10-14-25(15-11-21)36-29(34)26-4-2-3-5-27(26)30/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=HUMBVPZSHGBZQJ-FDAWAROLSA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3ccc(cc3)OC(=O)c4ccccc4Br
【MOL File】
4-(2-(4-((4-METHYLBE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml