769152-47-8
4-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153541
【English Synonyms】
【Formula】
C28 H37 Br N2 O3
【MolWeight】
529.515
【Inchi】
InChI=1S/C28H37BrN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-27(32)31-30-22-23-18-20-24(21-19-23)34-28(33)25-15-13-14-16-26(25)29/h13-16,18-22H,2-12,17H2,1H3,(H,31,32)/b30-22+
【InChIKey】
InChIKey=GMVFPACNHFHGGA-JBASAIQMSA-N
【SMILES】
CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(cc1)OC(=O)c2ccccc2Br
【MOL File】
4-(2-TETRADECANOYLCA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml