117929-13-2
2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE
Name2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE
1Identification
【Name】
2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE
【CAS】
【MDL】
MFCD01692966
【English Synonyms】
【Formula】
C16 H12 N2 O4
【MolWeight】
296.281
【Inchi】
InChI=1S/C16H12N2O4/c19-17(20)13-5-9-1-2-10-6-14(18(21)22)8-12-4-3-11(7-13)15(9)16(10)12/h5-8H,1-4H2
【InChIKey】
InChIKey=NHUOEGBUOIDRLN-UHFFFAOYSA-N
【SMILES】
c1c(cc2c-3c1CCc4c3c(cc(c4)[N+](=O)[O-])CC2)[N+](=O)[O-]
【MOL File】
2,7-DINITRO-4,5,9,10….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,7-DINITRO-4,5,9,10-TETRAHYDROPYRENE.cml