764657-13-8
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154493
【English Synonyms】
【Formula】
C30 H40 Cl2 N2 O3
【MolWeight】
547.563
【Inchi】
InChI=1S/C30H40Cl2N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-29(35)34-33-23-24-16-19-26(20-17-24)37-30(36)27-21-18-25(31)22-28(27)32/h16-23H,2-15H2,1H3,(H,34,35)/b33-23+
【InChIKey】
InChIKey=OYDFXOCROYQQFZ-GZZLJNBRSA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(cc1)OC(=O)c2ccc(cc2Cl)Cl
【MOL File】
4-(2-PALMITOYLCARBOH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml