91956-03-5
ETHYL 3-(2-NITROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE
NameETHYL 3-(2-NITROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE
1Identification
【Name】
ETHYL 3-(2-NITROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD11977023
【English Synonyms】
【Formula】
C13 H12 N2 O5
【MolWeight】
276.247
【Inchi】
InChI=1S/C13H12N2O5/c1-3-19-13(16)11-8(2)20-14-12(11)9-6-4-5-7-10(9)15(17)18/h4-7H,3H2,1-2H3
【InChIKey】
InChIKey=ZZHLRNSOUCOSHW-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(onc1c2ccccc2[N+](=O)[O-])C
【MOL File】
ETHYL 3-(2-NITROPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 3-(2-NITROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE.cml