948553-02-4
5-METHOXY-4-ISOPROPOXY-2-NITROBENZOIC ACID METHYL ESTER
Name5-METHOXY-4-ISOPROPOXY-2-NITROBENZOIC ACID METHYL ESTER
1Identification
【Name】
5-METHOXY-4-ISOPROPOXY-2-NITROBENZOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09833969
【English Synonyms】
【Formula】
C12 H15 N O6
【MolWeight】
269.251
【Inchi】
InChI=1S/C12H15NO6/c1-7(2)19-11-6-9(13(15)16)8(12(14)18-4)5-10(11)17-3/h5-7H,1-4H3
【InChIKey】
InChIKey=INHOMEHPASFBDO-UHFFFAOYSA-N
【SMILES】
CC(C)Oc1cc(c(cc1OC)C(=O)OC)[N+](=O)[O-]
【MOL File】
5-METHOXY-4-ISOPROPO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHOXY-4-ISOPROPOXY-2-NITROBENZOIC ACID METHYL ESTER.cml