864376-58-9
4-METHYL-4-(1-METHYLETHYL)-2-(4-NITROPHENYL)-5(4H)-OXAZOLONE
Name4-METHYL-4-(1-METHYLETHYL)-2-(4-NITROPHENYL)-5(4H)-OXAZOLONE
1Identification
【Name】
4-METHYL-4-(1-METHYLETHYL)-2-(4-NITROPHENYL)-5(4H)-OXAZOLONE
【CAS】
【MDL】
MFCD16878564
【English Synonyms】
【Formula】
C13 H14 N2 O4
【MolWeight】
262.264
【Inchi】
InChI=1S/C13H14N2O4/c1-8(2)13(3)12(16)19-11(14-13)9-4-6-10(7-5-9)15(17)18/h4-8H,1-3H3
【InChIKey】
InChIKey=XGUVVDOYBIGLGY-UHFFFAOYSA-N
【SMILES】
CC(C)C1(C(=O)OC(=N1)c2ccc(cc2)[N+](=O)[O-])C
【MOL File】
4-METHYL-4-(1-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-4-(1-METHYLETHYL)-2-(4-NITROPHENYL)-5(4H)-OXAZOLONE.cml