95566-53-3
1-METHYL-2(1H)-PYRIMIDINONE-P-NITROBENZALDEHYDEAZINE
Name1-METHYL-2(1H)-PYRIMIDINONE-P-NITROBENZALDEHYDEAZINE
1Identification
【Name】
1-METHYL-2(1H)-PYRIMIDINONE-P-NITROBENZALDEHYDEAZINE
【CAS】
【MDL】
MFCD03453165
【English Synonyms】
【Formula】
C12 H11 N5 O2
【MolWeight】
257.252
【Inchi】
InChI=1S/C12H11N5O2/c1-16-8-2-7-13-12(16)15-14-9-10-3-5-11(6-4-10)17(18)19/h2-9H,1H3/b14-9+,15-12+
【InChIKey】
InChIKey=HQDHFXJNESJPSP-WKDANBKTSA-N
【SMILES】
Cn\1cccn/c1=N\N=C\c2ccc(cc2)[N+](=O)[O-]
【MOL File】
1-METHYL-2(1H)-PYRIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-2(1H)-PYRIMIDINONE-P-NITROBENZALDEHYDEAZINE.cml