767305-57-7
4-BROMO-2-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
Name4-BROMO-2-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD05720966
【English Synonyms】
【Formula】
C27 H21 Br N2 O4
【MolWeight】
517.377
【Inchi】
InChI=1S/C27H21BrN2O4/c1-2-33-22-13-10-19(11-14-22)27(32)34-25-15-12-21(28)16-20(25)17-29-30-26(31)24-9-5-7-18-6-3-4-8-23(18)24/h3-17H,2H2,1H3,(H,30,31)/b29-17+
【InChIKey】
InChIKey=MAZNAAJWRTXPNE-STBIYBPSSA-N
【SMILES】
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cccc4c3cccc4)Br
【MOL File】
4-BROMO-2-(2-(1-NAPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE.cml