769153-24-4
4-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC28 H20 Br Cl N2 O4
1Identification
【Name】
4-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153450
【English Synonyms】
【Formula】
C28 H20 Br Cl N2 O4
【MolWeight】
563.833
【Inchi】
InChI=1S/C28H20BrClN2O4/c29-25-7-3-1-5-23(25)28(34)36-22-15-11-19(12-16-22)17-31-32-27(33)24-6-2-4-8-26(24)35-18-20-9-13-21(30)14-10-20/h1-17H,18H2,(H,32,33)/b31-17+
【InChIKey】
InChIKey=NOCWPBVWVJNRQC-KBVAKVRCSA-N
【SMILES】
c1ccc(c(c1)C(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccccc3Br)OCc4ccc(cc4)Cl
【MOL File】
4-(2-(2-((4-CHLOROBE….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
4-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml