57155-21-2
1-(6-NITRO-1H-BENZIMIDAZOL-1-YL)-ETHANONE
Name
1-(6-NITRO-1H-BENZIMIDAZOL-1-YL)-ETHANONE
Formula
C9 H7 N3 O3
MolWeight
205.172
1Identification
【Name】
1-(6-NITRO-1H-BENZIMIDAZOL-1-YL)-ETHANONE
【CAS】
【MDL】
MFCD00458301
【English Synonyms】
【Formula】
C9 H7 N3 O3
【MolWeight】
205.172
【Inchi】
InChI=1S/C9H7N3O3/c1-6(13)11-5-10-8-3-2-7(12(14)15)4-9(8)11/h2-5H,1H3
【InChIKey】
InChIKey=CQVBKEOMYSZGCE-UHFFFAOYSA-N
【SMILES】
CC(=O)n1cnc2c1cc(cc2)[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-(6-NITRO-1H-BENZIMIDAZOL-1-YL)-ETHANONE.cml
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