933868-04-3
4-CHLORO-6-METHYL-3-(3-NITROPHENYL)ISOXAZOLO[5,4-D]PYRIMIDINE
Name4-CHLORO-6-METHYL-3-(3-NITROPHENYL)ISOXAZOLO[5,4-D]PYRIMIDINE
1Identification
【Name】
4-CHLORO-6-METHYL-3-(3-NITROPHENYL)ISOXAZOLO[5,4-D]PYRIMIDINE
【CAS】
【MDL】
MFCD17185669
【English Synonyms】
【Formula】
C12 H7 Cl N4 O3
【MolWeight】
290.665
【Inchi】
InChI=1S/C12H7ClN4O3/c1-6-14-11(13)9-10(16-20-12(9)15-6)7-3-2-4-8(5-7)17(18)19/h2-5H,1H3
【InChIKey】
InChIKey=WWBFWTNHMABRTK-UHFFFAOYSA-N
【SMILES】
Cc1nc2c(c(no2)c3cccc(c3)[N+](=O)[O-])c(n1)Cl
【MOL File】
4-CHLORO-6-METHYL-3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-6-METHYL-3-(3-NITROPHENYL)ISOXAZOLO[5,4-D]PYRIMIDINE.cml