5327-44-6
3,5-DINITROANISOLE
Name
3,5-DINITROANISOLE
Formula
C7 H6 N2 O5
MolWeight
198.133
1Identification
【Name】
3,5-DINITROANISOLE
【CAS】
【MDL】
MFCD00127693
【English Synonyms】
【Formula】
C7 H6 N2 O5
【MolWeight】
198.133
【Inchi】
InChI=1S/C7H6N2O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3
【InChIKey】
InChIKey=OTMLGCBMOMNGCV-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DINITROANISOLE.cml
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