63158-36-1
1-(1-METHYL-5-NITRO-1H-PYRROL-2-YL)-ETHANONE
Name1-(1-METHYL-5-NITRO-1H-PYRROL-2-YL)-ETHANONE
1Identification
【Name】
1-(1-METHYL-5-NITRO-1H-PYRROL-2-YL)-ETHANONE
【CAS】
【MDL】
MFCD13178525
【English Synonyms】
【Formula】
C7 H8 N2 O3
【MolWeight】
168.151
【Inchi】
InChI=1S/C7H8N2O3/c1-5(10)6-3-4-7(8(6)2)9(11)12/h3-4H,1-2H3
【InChIKey】
InChIKey=XICQBAFVGXQISX-UHFFFAOYSA-N
【SMILES】
CC(=O)c1ccc(n1C)[N+](=O)[O-]
【MOL File】
1-(1-METHYL-5-NITRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(1-METHYL-5-NITRO-1H-PYRROL-2-YL)-ETHANONE.cml