927389-30-8
2-AMINO-5-BROMO-4-FLUORO-3-HYDROXY-6-METHYL-BENZONITRILE
Name2-AMINO-5-BROMO-4-FLUORO-3-HYDROXY-6-METHYL-BENZONITRILE
1Identification
【Name】
2-AMINO-5-BROMO-4-FLUORO-3-HYDROXY-6-METHYL-BENZONITRILE
【CAS】
【MDL】
MFCD12828050
【English Synonyms】
【Formula】
C8 H6 Br F N2 O
【MolWeight】
245.05
【Inchi】
InChI=1S/C8H6BrFN2O/c1-3-4(2-11)7(12)8(13)6(10)5(3)9/h13H,12H2,1H3
【InChIKey】
InChIKey=SDRXWXSOGFPDBD-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(c1Br)F)O)N)C#N
【MOL File】
2-AMINO-5-BROMO-4-FL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-5-BROMO-4-FLUORO-3-HYDROXY-6-METHYL-BENZONITRILE.cml