769153-45-9
2-METHOXY-4-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
Name2-METHOXY-4-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
1Identification
【Name】
2-METHOXY-4-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153424
【English Synonyms】
【Formula】
C29 H39 Br N2 O4
【MolWeight】
559.541
【Inchi】
InChI=1S/C29H39BrN2O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-28(33)32-31-22-23-18-19-26(27(20-23)35-2)36-29(34)24-15-14-16-25(30)21-24/h14-16,18-22H,3-13,17H2,1-2H3,(H,32,33)/b31-22+
【InChIKey】
InChIKey=WTMFAXUQYNGTOG-DFKUXCBWSA-N
【SMILES】
CCCCCCCCCCCCCC(=O)N/N=C/c1ccc(c(c1)OC)OC(=O)c2cccc(c2)Br
【MOL File】
2-METHOXY-4-(2-TETRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHOXY-4-(2-TETRADECANOYLCARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE.cml