90418-79-4
5-METHYL-7-NITRO-1H-INDOLE-2,3-DIONE
Name5-METHYL-7-NITRO-1H-INDOLE-2,3-DIONE
1Identification
【Name】
5-METHYL-7-NITRO-1H-INDOLE-2,3-DIONE
【CAS】
【MDL】
MFCD00030215
【English Synonyms】
【Formula】
C9 H6 N2 O4
【MolWeight】
206.156
【Inchi】
InChI=1S/C9H6N2O4/c1-4-2-5-7(6(3-4)11(14)15)10-9(13)8(5)12/h2-3H,1H3,(H,10,12,13)
【InChIKey】
InChIKey=NTRUHSPDGGDANP-UHFFFAOYSA-N
【SMILES】
Cc1cc2c(c(c1)[N+](=O)[O-])NC(=O)C2=O
【MOL File】
5-METHYL-7-NITRO-1H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-7-NITRO-1H-INDOLE-2,3-DIONE.cml