767310-33-8
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
Name4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
【CAS】
【MDL】
MFCD05720895
【English Synonyms】
【Formula】
C27 H21 Br N2 O3
【MolWeight】
501.378
【Inchi】
InChI=1S/C27H21BrN2O3/c1-18-7-2-4-11-23(18)27(32)33-25-14-13-22(28)15-21(25)17-29-30-26(31)16-20-10-6-9-19-8-3-5-12-24(19)20/h2-15,17H,16H2,1H3,(H,30,31)/b29-17+
【InChIKey】
InChIKey=VSDSSAZNOLGJKL-STBIYBPSSA-N
【SMILES】
Cc1ccccc1C(=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:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(1-NAPHTHYLACETYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE.cml