5253-07-6
2,5-DIMETHYL-3,6-DINITRO-1,4-BENZOQUINONE
Name2,5-DIMETHYL-3,6-DINITRO-1,4-BENZOQUINONE
1Identification
【Name】
2,5-DIMETHYL-3,6-DINITRO-1,4-BENZOQUINONE
【CAS】
【MDL】
MFCD00154239
【English Synonyms】
【Formula】
C8 H6 N2 O6
【MolWeight】
226.143
【Inchi】
InChI=1S/C8H6N2O6/c1-3-5(9(13)14)8(12)4(2)6(7(3)11)10(15)16/h1-2H3
【InChIKey】
InChIKey=CXTOOKVMKOAIPA-UHFFFAOYSA-N
【SMILES】
CC1=C(C(=O)C(=C(C1=O)[N+](=O)[O-])C)[N+](=O)[O-]
【MOL File】
2,5-DIMETHYL-3,6-DIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,5-DIMETHYL-3,6-DINITRO-1,4-BENZOQUINONE.cml