33484-67-2
1-ISOCYANATO-2-METHOXY-4-NITROBENZENE
Name
1-ISOCYANATO-2-METHOXY-4-NITROBENZENE
Formula
C8 H6 N2 O4
MolWeight
194.145
1Identification
【Name】
1-ISOCYANATO-2-METHOXY-4-NITROBENZENE
【CAS】
【MDL】
MFCD00037066
【English Synonyms】
【Formula】
C8 H6 N2 O4
【MolWeight】
194.145
【Inchi】
InChI=1S/C8H6N2O4/c1-14-8-4-6(10(12)13)2-3-7(8)9-5-11/h2-4H,1H3
【InChIKey】
InChIKey=VOTZJLLPYYCZRY-UHFFFAOYSA-N
【SMILES】
COc1cc(ccc1N=C=O)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
1-ISOCYANATO-2-METHOXY-4-NITROBENZENE.cml
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