937383-47-6
1H-INDAZOLE, 3-IODO-6-(4-METHYL-1-PIPERAZINYL)-5-NITRO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-
Name1H-INDAZOLE, 3-IODO-6-(4-METHYL-1-PIPERAZINYL)-5-NITRO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-
1Identification
【Name】
1H-INDAZOLE, 3-IODO-6-(4-METHYL-1-PIPERAZINYL)-5-NITRO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-
【CAS】
【MDL】
MFCD11977568
【English Synonyms】
【Formula】
C17 H22 I N5 O3
【MolWeight】
471.293
【Inchi】
InChI=1S/C17H22IN5O3/c1-20-5-7-21(8-6-20)14-11-13-12(10-15(14)23(24)25)17(18)19-22(13)16-4-2-3-9-26-16/h10-11,16H,2-9H2,1H3
【InChIKey】
InChIKey=MHKPUPQFTBMSJI-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1)c2cc3c(cc2[N+](=O)[O-])c(nn3C4CCCCO4)I
【MOL File】
1H-INDAZOLE, 3-IODO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE, 3-IODO-6-(4-METHYL-1-PIPERAZINYL)-5-NITRO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-.cml