870463-05-1
2-[2-BROMO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]-N-(4-FLUOROPHENYL)-ACETAMIDE
Name2-[2-BROMO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]-N-(4-FLUOROPHENYL)-ACETAMIDE
1Identification
【Name】
2-[2-BROMO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]-N-(4-FLUOROPHENYL)-ACETAMIDE
【CAS】
【MDL】
MFCD09754479
【English Synonyms】
【Formula】
C17 H17 Br F N O4
【MolWeight】
398.226
【Inchi】
InChI=1S/C17H17BrFNO4/c1-2-23-15-8-11(9-21)7-14(18)17(15)24-10-16(22)20-13-5-3-12(19)4-6-13/h3-8,21H,2,9-10H2,1H3,(H,20,22)
【InChIKey】
InChIKey=OKXAMKJTKGZXPU-UHFFFAOYSA-N
【SMILES】
CCOc1cc(cc(c1OCC(=O)Nc2ccc(cc2)F)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-FLUOROPHENYL)-ACETAMIDE.cml