131394-08-6
1-(3-NITRO-1H-PYRAZOL-1-YL)ACETONE
Name
1-(3-NITRO-1H-PYRAZOL-1-YL)ACETONE
Formula
C6 H7 N3 O3
MolWeight
169.139
1Identification
【Name】
1-(3-NITRO-1H-PYRAZOL-1-YL)ACETONE
【CAS】
【MDL】
MFCD00459729
【English Synonyms】
【Formula】
C6 H7 N3 O3
【MolWeight】
169.139
【Inchi】
InChI=1S/C6H7N3O3/c1-5(10)4-8-3-2-6(7-8)9(11)12/h2-3H,4H2,1H3
【InChIKey】
InChIKey=RIBGYLUDUASCIU-UHFFFAOYSA-N
【SMILES】
CC(=O)Cn1ccc(n1)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-NITRO-1H-PYRAZOL-1-YL)ACETONE.cml
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