90004-97-0
1-(3-BROMO-2-HYDROXY-5-NITROPHENYL)ETHAN-1-ONE
Name1-(3-BROMO-2-HYDROXY-5-NITROPHENYL)ETHAN-1-ONE
1Identification
【Name】
1-(3-BROMO-2-HYDROXY-5-NITROPHENYL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD13192637
【English Synonyms】
【Formula】
C8 H6 Br N O4
【MolWeight】
260.042
【Inchi】
InChI=1S/C8H6BrNO4/c1-4(11)6-2-5(10(13)14)3-7(9)8(6)12/h2-3,12H,1H3
【InChIKey】
InChIKey=NUPQONVDLVCQBU-UHFFFAOYSA-N
【SMILES】
CC(=O)c1cc(cc(c1O)Br)[N+](=O)[O-]
【MOL File】
1-(3-BROMO-2-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-BROMO-2-HYDROXY-5-NITROPHENYL)ETHAN-1-ONE.cml