78288-94-5
7-NITRO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE
Name
7-NITRO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE
Formula
C9 H9 N O4
MolWeight
195.173
1Identification
【Name】
7-NITRO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE
【CAS】
【MDL】
MFCD00508323
【English Synonyms】
【Formula】
C9 H9 N O4
【MolWeight】
195.173
【Inchi】
InChI=1S/C9H9NO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2
【InChIKey】
InChIKey=DYLOYOGDBJZJDV-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1[N+](=O)[O-])OCCCO2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-NITRO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE.cml
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