769153-15-3
4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC26 H17 Br Cl N3 O4
1Identification
【Name】
4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153463
【English Synonyms】
【Formula】
C26 H17 Br Cl N3 O4
【MolWeight】
550.794
【Inchi】
InChI=1S/C26H17BrClN3O4/c27-19-10-13-23(35-26(34)17-8-11-20(28)12-9-17)18(14-19)15-29-31-25(33)24(32)30-22-7-3-5-16-4-1-2-6-21(16)22/h1-15H,(H,30,32)(H,31,33)/b29-15+
【InChIKey】
InChIKey=IBWGUWHQCNKDBD-WKULSOCRSA-N
【SMILES】
c1ccc2c(c1)cccc2NC(=O)C(=O)N/N=C/c3cc(ccc3OC(=O)c4ccc(cc4)Cl)Br
【MOL File】
4-BR-2-(2-((1-NAPHTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml