769151-66-8
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153649
【English Synonyms】
【Formula】
C30 H41 Br N2 O3
【MolWeight】
557.569
【Inchi】
InChI=1S/C30H41BrN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(34)33-32-24-25-20-22-26(23-21-25)36-30(35)27-17-15-16-18-28(27)31/h15-18,20-24H,2-14,19H2,1H3,(H,33,34)/b32-24+
【InChIKey】
InChIKey=LLLHEGUGWAJGHP-FEZSWGLMSA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(cc1)OC(=O)c2ccccc2Br
【MOL File】
4-(2-PALMITOYLCARBOH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml