477729-60-5
2-METHOXY-4-(2-((1-NAPHTHYLOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
Name2-METHOXY-4-(2-((1-NAPHTHYLOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
1Identification
【Name】
2-METHOXY-4-(2-((1-NAPHTHYLOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD00646081
【English Synonyms】
【Formula】
C27 H21 Br N2 O5
【MolWeight】
533.376
【Inchi】
InChI=1S/C27H21BrN2O5/c1-33-25-14-18(12-13-24(25)35-27(32)20-8-4-9-21(28)15-20)16-29-30-26(31)17-34-23-11-5-7-19-6-2-3-10-22(19)23/h2-16H,17H2,1H3,(H,30,31)/b29-16+
【InChIKey】
InChIKey=IFUUMKXWFIILJB-MUFRIFMGSA-N
【SMILES】
COc1cc(ccc1OC(=O)c2cccc(c2)Br)/C=N/NC(=O)COc3cccc4c3cccc4
【MOL File】
2-METHOXY-4-(2-((1-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHOXY-4-(2-((1-NAPHTHYLOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE.cml