769153-50-6
4-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC28 H20 Br Cl N2 O4
1Identification
【Name】
4-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153416
【English Synonyms】
【Formula】
C28 H20 Br Cl N2 O4
【MolWeight】
563.833
【Inchi】
InChI=1S/C28H20BrClN2O4/c29-26-4-2-1-3-25(26)28(34)36-24-13-7-19(8-14-24)17-31-32-27(33)21-9-15-23(16-10-21)35-18-20-5-11-22(30)12-6-20/h1-17H,18H2,(H,32,33)/b31-17+
【InChIKey】
InChIKey=PFVRXRYIDQUWOW-KBVAKVRCSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)Cl)Br
【MOL File】
4-(2-(4-((4-CHLOROBE….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-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml