919482-01-2
4-HYDROXY-7-(1-METHYLETHOXY)-6-NITRO-3-QUINOLINECARBONITRILE
Name4-HYDROXY-7-(1-METHYLETHOXY)-6-NITRO-3-QUINOLINECARBONITRILE
1Identification
【Name】
4-HYDROXY-7-(1-METHYLETHOXY)-6-NITRO-3-QUINOLINECARBONITRILE
【CAS】
【MDL】
MFCD13181090
【English Synonyms】
【Formula】
C13 H11 N3 O4
【MolWeight】
273.247
【Inchi】
InChI=1S/C13H11N3O4/c1-7(2)20-12-4-10-9(3-11(12)16(18)19)13(17)8(5-14)6-15-10/h3-4,6-7H,1-2H3,(H,15,17)
【InChIKey】
InChIKey=LAVCCJFCHCAZCI-UHFFFAOYSA-N
【SMILES】
CC(C)Oc1cc2c(cc1[N+](=O)[O-])c(c(cn2)C#N)O
【MOL File】
4-HYDROXY-7-(1-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-HYDROXY-7-(1-METHYLETHOXY)-6-NITRO-3-QUINOLINECARBONITRILE.cml