869586-75-4
2-PENTANONE, 4-(2-CHLOROPHENYL)-5-(3-METHYL-4-NITRO-5-ISOXAZOLYL)-
Name2-PENTANONE, 4-(2-CHLOROPHENYL)-5-(3-METHYL-4-NITRO-5-ISOXAZOLYL)-
1Identification
【Name】
2-PENTANONE, 4-(2-CHLOROPHENYL)-5-(3-METHYL-4-NITRO-5-ISOXAZOLYL)-
【CAS】
【MDL】
MFCD16878648
【English Synonyms】
【Formula】
C15 H15 Cl N2 O4
【MolWeight】
322.746
【Inchi】
InChI=1S/C15H15ClN2O4/c1-9(19)7-11(12-5-3-4-6-13(12)16)8-14-15(18(20)21)10(2)17-22-14/h3-6,11H,7-8H2,1-2H3
【InChIKey】
InChIKey=YLPGEHUAUGXXFD-UHFFFAOYSA-N
【SMILES】
Cc1c(c(on1)CC(CC(=O)C)c2ccccc2Cl)[N+](=O)[O-]
【MOL File】
2-PENTANONE, 4-(2-CH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PENTANONE, 4-(2-CHLOROPHENYL)-5-(3-METHYL-4-NITRO-5-ISOXAZOLYL)-.cml