769146-86-3
2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC21 H14 Br Cl N2 O3
1Identification
【Name】
2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05721069
【English Synonyms】
【Formula】
C21 H14 Br Cl N2 O3
【MolWeight】
457.71
【Inchi】
InChI=1S/C21H14BrClN2O3/c22-17-9-5-14(6-10-17)20(26)25-24-13-16-3-1-2-4-19(16)28-21(27)15-7-11-18(23)12-8-15/h1-13H,(H,25,26)/b24-13+
【InChIKey】
InChIKey=BZLFYIYYSZBTQG-ZMOGYAJESA-N
【SMILES】
c1ccc(c(c1)/C=N/NC(=O)c2ccc(cc2)Br)OC(=O)c3ccc(cc3)Cl
【MOL File】
2-(2-(4-BROMOBENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml