769153-79-9
4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC26 H17 Br Cl N3 O4
1Identification
【Name】
4-BR-2-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153379
【English Synonyms】
【Formula】
C26 H17 Br Cl N3 O4
【MolWeight】
550.794
【Inchi】
InChI=1S/C26H17BrClN3O4/c27-18-12-13-23(35-26(34)20-9-3-4-10-21(20)28)17(14-18)15-29-31-25(33)24(32)30-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,30,32)(H,31,33)/b29-15+
【InChIKey】
InChIKey=HINVYVNZSJLPPT-WKULSOCRSA-N
【SMILES】
c1ccc2c(c1)cccc2NC(=O)C(=O)N/N=C/c3cc(ccc3OC(=O)c4ccccc4Cl)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 2-CHLOROBENZOATE.cml