59261-38-0
1,4-DIMETHYL-5-NITROISOQUINOLINE
Name1,4-DIMETHYL-5-NITROISOQUINOLINE
1Identification
【Name】
1,4-DIMETHYL-5-NITROISOQUINOLINE
【CAS】
【MDL】
MFCD22683161
【English Synonyms】
【Formula】
C11 H10 N2 O2
【MolWeight】
202.212
【Inchi】
InChI=1S/C11H10N2O2/c1-7-6-12-8(2)9-4-3-5-10(11(7)9)13(14)15/h3-6H,1-2H3
【InChIKey】
InChIKey=WTACEYGASPOAEO-UHFFFAOYSA-N
【SMILES】
Cc1cnc(c2c1c(ccc2)[N+](=O)[O-])C
【MOL File】
1,4-DIMETHYL-5-NITRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DIMETHYL-5-NITROISOQUINOLINE.cml