769151-47-5
4-BROMO-2-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
4-BROMO-2-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05153673
【English Synonyms】
【Formula】
C30 H41 Br N2 O3
【MolWeight】
557.569
【Inchi】
InChI=1S/C30H41BrN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29(34)33-32-24-26-23-27(31)21-22-28(26)36-30(35)25-18-15-14-16-19-25/h14-16,18-19,21-24H,2-13,17,20H2,1H3,(H,33,34)/b32-24+
【InChIKey】
InChIKey=PTNFUIQPJJZWTC-FEZSWGLMSA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2)Br
【MOL File】
4-BROMO-2-(2-PALMITO….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-BROMO-2-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL BENZOATE.cml