769148-45-0
2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
1Identification
【Name】
2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154159
【English Synonyms】
【Formula】
C29 H23 Cl N2 O4
【MolWeight】
498.964
【Inchi】
InChI=1S/C29H23ClN2O4/c1-20-6-8-21(9-7-20)19-35-26-16-12-22(13-17-26)28(33)32-31-18-24-4-2-3-5-27(24)36-29(34)23-10-14-25(30)15-11-23/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=NQMPQPJNLOBURM-FDAWAROLSA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3ccccc3OC(=O)c4ccc(cc4)Cl
【MOL File】
2-(2-(4-((4-METHYLBE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml