769156-28-7
4-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154345
【English Synonyms】
【Formula】
C26 H25 Br N2 O4
【MolWeight】
509.397
【Inchi】
InChI=1S/C26H25BrN2O4/c1-17(2)20-11-8-18(3)24(14-20)32-16-25(30)29-28-15-19-9-12-21(13-10-19)33-26(31)22-6-4-5-7-23(22)27/h4-15,17H,16H2,1-3H3,(H,29,30)/b28-15+
【InChIKey】
InChIKey=OBDGNGMUOGYIKN-RWPZCVJISA-N
【SMILES】
Cc1ccc(cc1OCC(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccccc3Br)C(C)C
【MOL File】
4-(2-((5-ISOPROPYL-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((5-ISOPROPYL-2-METHYLPHENOXY)AC)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml