400081-22-3
5-METHOXY-2-(2-PYRIDINYL)-4-PYRIMIDINYL 3-NITROPHENYL ETHER
Name5-METHOXY-2-(2-PYRIDINYL)-4-PYRIMIDINYL 3-NITROPHENYL ETHER
1Identification
【Name】
5-METHOXY-2-(2-PYRIDINYL)-4-PYRIMIDINYL 3-NITROPHENYL ETHER
【CAS】
【MDL】
MFCD00665698
【English Synonyms】
【Formula】
C16 H12 N4 O4
【MolWeight】
324.295
【Inchi】
InChI=1S/C16H12N4O4/c1-23-14-10-18-15(13-7-2-3-8-17-13)19-16(14)24-12-6-4-5-11(9-12)20(21)22/h2-10H,1H3
【InChIKey】
InChIKey=QWZGOKWZFLPEJV-UHFFFAOYSA-N
【SMILES】
COc1cnc(nc1Oc2cccc(c2)[N+](=O)[O-])c3ccccn3
【MOL File】
5-METHOXY-2-(2-PYRID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHOXY-2-(2-PYRIDINYL)-4-PYRIMIDINYL 3-NITROPHENYL ETHER.cml