56609-15-5
1-(3-BROMO-2-HYDROXY-5-METHYLPHENYL)ETHAN-1-ONE
Name1-(3-BROMO-2-HYDROXY-5-METHYLPHENYL)ETHAN-1-ONE
1Identification
【Name】
1-(3-BROMO-2-HYDROXY-5-METHYLPHENYL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD00464334
【English Synonyms】
【Formula】
C9 H9 Br O2
【MolWeight】
229.072
【Inchi】
InChI=1S/C9H9BrO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,1-2H3
【InChIKey】
InChIKey=ARARNHPPXNXRPT-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)Br)O)C(=O)C
【MOL File】
1-(3-BROMO-2-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-BROMO-2-HYDROXY-5-METHYLPHENYL)ETHAN-1-ONE.cml