870261-68-0
2-[2-BROMO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]-N-(4-METHYLPHENYL)-ACETAMIDE
Name2-[2-BROMO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]-N-(4-METHYLPHENYL)-ACETAMIDE
1Identification
【Name】
2-[2-BROMO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]-N-(4-METHYLPHENYL)-ACETAMIDE
【CAS】
【MDL】
MFCD05862199
【English Synonyms】
【Formula】
C18 H20 Br N O4
【MolWeight】
394.263
【Inchi】
InChI=1S/C18H20BrNO4/c1-3-23-16-9-13(10-21)8-15(19)18(16)24-11-17(22)20-14-6-4-12(2)5-7-14/h4-9,21H,3,10-11H2,1-2H3,(H,20,22)
【InChIKey】
InChIKey=VRFCYBUHNZZMNP-UHFFFAOYSA-N
【SMILES】
CCOc1cc(cc(c1OCC(=O)Nc2ccc(cc2)C)Br)CO
【MOL File】
2-[2-BROMO-6-ETHOXY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[2-BROMO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]-N-(4-METHYLPHENYL)-ACETAMIDE.cml