765307-30-0
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154383
【English Synonyms】
【Formula】
C27 H21 Br N2 O4
【MolWeight】
517.377
【Inchi】
InChI=1S/C27H21BrN2O4/c1-33-23-12-9-19(10-13-23)27(32)34-25-14-11-22(28)15-21(25)17-29-30-26(31)16-20-7-4-6-18-5-2-3-8-24(18)20/h2-15,17H,16H2,1H3,(H,30,31)/b29-17+
【InChIKey】
InChIKey=DTNHLTPWUVSIRB-STBIYBPSSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)Cc3cccc4c3cccc4)Br
【MOL File】
4-BROMO-2-(2-(1-NAPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml