767305-70-4
3-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name3-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC21 H14 Br Cl N2 O3
1Identification
【Name】
3-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05720952
【English Synonyms】
【Formula】
C21 H14 Br Cl N2 O3
【MolWeight】
457.71
【Inchi】
InChI=1S/C21H14BrClN2O3/c22-17-8-4-15(5-9-17)20(26)25-24-13-14-2-1-3-19(12-14)28-21(27)16-6-10-18(23)11-7-16/h1-13H,(H,25,26)/b24-13+
【InChIKey】
InChIKey=OTWKVTJOCLMWPD-ZMOGYAJESA-N
【SMILES】
c1cc(cc(c1)OC(=O)c2ccc(cc2)Cl)/C=N/NC(=O)c3ccc(cc3)Br
【MOL File】
3-(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
3-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml