1199813-82-5
1,2-DIHYDRO-2-METHYL-7-NITROISOQUINOLIN-3(4H)-ONE
Name1,2-DIHYDRO-2-METHYL-7-NITROISOQUINOLIN-3(4H)-ONE
1Identification
【Name】
1,2-DIHYDRO-2-METHYL-7-NITROISOQUINOLIN-3(4H)-ONE
【CAS】
【MDL】
MFCD16875463
【English Synonyms】
【Formula】
C10 H10 N2 O3
【MolWeight】
206.2
【Inchi】
InChI=1S/C10H10N2O3/c1-11-6-8-4-9(12(14)15)3-2-7(8)5-10(11)13/h2-4H,5-6H2,1H3
【InChIKey】
InChIKey=OAZNUWVXHRYGEN-UHFFFAOYSA-N
【SMILES】
CN1Cc2cc(ccc2CC1=O)[N+](=O)[O-]
【MOL File】
1,2-DIHYDRO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIHYDRO-2-METHYL-7-NITROISOQUINOLIN-3(4H)-ONE.cml