769153-25-5
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE
Name4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE
1Identification
【Name】
4-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153448
【English Synonyms】
【Formula】
C30 H25 Br N2 O4
【MolWeight】
557.442
【Inchi】
InChI=1S/C30H25BrN2O4/c1-20-6-8-22(9-7-20)19-36-27-13-10-23(11-14-27)29(34)33-32-18-25-17-26(31)12-15-28(25)37-30(35)24-5-3-4-21(2)16-24/h3-18H,19H2,1-2H3,(H,33,34)/b32-18+
【InChIKey】
InChIKey=JBCVGOXUMGFVON-KCSSXMTESA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3cc(ccc3OC(=O)c4cccc(c4)C)Br
【MOL File】
4-BR-2-(2-(4-((4-MET….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-BR-2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-METHYLBENZOATE.cml