856677-05-9
(5S)-N-[3-(4-BROMO-3-FLUOROPHENYL)-2-OXOOXAZOLIDIN-5-YLMETHYL]ACETAMIDE
Name(5S)-N-[3-(4-BROMO-3-FLUOROPHENYL)-2-OXOOXAZOLIDIN-5-YLMETHYL]ACETAMIDE
FormulaC12 H12 Br F N2 O3
1Identification
【Name】
(5S)-N-[3-(4-BROMO-3-FLUOROPHENYL)-2-OXOOXAZOLIDIN-5-YLMETHYL]ACETAMIDE
【CAS】
【MDL】
MFCD08274939
【English Synonyms】
【Formula】
C12 H12 Br F N2 O3
【MolWeight】
331.14
【Inchi】
InChI=1S/C12H12BrFN2O3/c1-7(17)15-5-9-6-16(12(18)19-9)8-2-3-10(13)11(14)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m0/s1
【InChIKey】
InChIKey=SYSAYGFWQXJHBE-VIFPVBQESA-N
【SMILES】
CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)Br
【MOL File】
(5S)-N-[3-(4-BROMO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(5S)-N-[3-(4-BROMO-3-FLUOROPHENYL)-2-OXOOXAZOLIDIN-5-YLMETHYL]ACETAMIDE.cml