945964-38-5
3-ACETYL-5-BROMO-4-FLUORO-6-METHOXY-2-METHYL-BENZONITRILE
Name3-ACETYL-5-BROMO-4-FLUORO-6-METHOXY-2-METHYL-BENZONITRILE
1Identification
【Name】
3-ACETYL-5-BROMO-4-FLUORO-6-METHOXY-2-METHYL-BENZONITRILE
【CAS】
【MDL】
MFCD12828048
【English Synonyms】
【Formula】
C11 H9 Br F N O2
【MolWeight】
286.099
【Inchi】
InChI=1S/C11H9BrFNO2/c1-5-7(4-14)11(16-3)9(12)10(13)8(5)6(2)15/h1-3H3
【InChIKey】
InChIKey=MXHVKUYNHVLRPI-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(c1C(=O)C)F)Br)OC)C#N
【MOL File】
3-ACETYL-5-BROMO-4-F….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ACETYL-5-BROMO-4-FLUORO-6-METHOXY-2-METHYL-BENZONITRILE.cml