60728-89-4
1-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETONE
Name
1-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETONE
Formula
C5 H6 N4 O3
MolWeight
170.127
1Identification
【Name】
1-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETONE
【CAS】
【MDL】
MFCD00459728
【English Synonyms】
【Formula】
C5 H6 N4 O3
【MolWeight】
170.127
【Inchi】
InChI=1S/C5H6N4O3/c1-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3
【InChIKey】
InChIKey=LSBLHAUYFVFQSJ-UHFFFAOYSA-N
【SMILES】
CC(=O)Cn1cnc(n1)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETONE.cml
Quick Release
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