769152-23-0
4-BROMO-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BROMO-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05153567
【English Synonyms】
【Formula】
C26 H18 Br N3 O4
【MolWeight】
516.349
【Inchi】
InChI=1S/C26H18BrN3O4/c27-20-13-14-23(34-26(33)18-8-2-1-3-9-18)19(15-20)16-28-30-25(32)24(31)29-22-12-6-10-17-7-4-5-11-21(17)22/h1-16H,(H,29,31)(H,30,32)/b28-16+
【InChIKey】
InChIKey=CDBJDDHZFBTSSF-LQKURTRISA-N
【SMILES】
c1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3cccc4c3cccc4)Br
【MOL File】
4-BROMO-2-(2-((1-NAP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml