477729-76-3
2-METHOXY-4-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
Name2-METHOXY-4-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
1Identification
【Name】
2-METHOXY-4-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD00334010
【English Synonyms】
【Formula】
C23 H19 Br N2 O4
【MolWeight】
467.317
【Inchi】
InChI=1S/C23H19BrN2O4/c1-29-21-12-17(15-25-26-22(27)13-16-6-3-2-4-7-16)10-11-20(21)30-23(28)18-8-5-9-19(24)14-18/h2-12,14-15H,13H2,1H3,(H,26,27)/b25-15+
【InChIKey】
InChIKey=NUEWWFCEXVJGFB-MFKUBSTISA-N
【SMILES】
COc1cc(ccc1OC(=O)c2cccc(c2)Br)/C=N/NC(=O)Cc3ccccc3
【MOL File】
2-METHOXY-4-(2-(PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHOXY-4-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE.cml