69976-70-1
1(5-METHYL-2-NITROPHENYL) ETHANONE
Name1(5-METHYL-2-NITROPHENYL) ETHANONE
1Identification
【Name】
1(5-METHYL-2-NITROPHENYL) ETHANONE
【CAS】
【MDL】
MFCD11046202
【English Synonyms】
【Formula】
C9 H9 N O3
【MolWeight】
179.174
【Inchi】
InChI=1S/C9H9NO3/c1-6-3-4-9(10(12)13)8(5-6)7(2)11/h3-5H,1-2H3
【InChIKey】
InChIKey=QTVGOWDJTGISJG-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C(=O)C)[N+](=O)[O-]
【MOL File】
1(5-METHYL-2-NITROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1(5-METHYL-2-NITROPHENYL) ETHANONE.cml