767289-34-9
2-(2-(4-(BENZYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATE
Name2-(2-(4-(BENZYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATE
FormulaC28 H20 Br Cl N2 O4
1Identification
【Name】
2-(2-(4-(BENZYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153883
【English Synonyms】
【Formula】
C28 H20 Br Cl N2 O4
【MolWeight】
563.833
【Inchi】
InChI=1S/C28H20BrClN2O4/c29-22-12-15-26(36-28(34)24-8-4-5-9-25(24)30)21(16-22)17-31-32-27(33)20-10-13-23(14-11-20)35-18-19-6-2-1-3-7-19/h1-17H,18H2,(H,32,33)/b31-17+
【InChIKey】
InChIKey=URRLEIXZIIWFFI-KBVAKVRCSA-N
【SMILES】
c1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3cc(ccc3OC(=O)c4ccccc4Cl)Br
【MOL File】
2-(2-(4-(BENZYLOXY)B….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
2-(2-(4-(BENZYLOXY)BENZOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATE.cml