1533425-26-1
2-bromo-1-fluoro-5-isothiocyanato-3-trifluoromethylbenzene
Name2-bromo-1-fluoro-5-isothiocyanato-3-trifluoromethylbenzene
1Identification
【Name】
2-bromo-1-fluoro-5-isothiocyanato-3-trifluoromethylbenzene
【CAS】
【MDL】
【English Synonyms】
【Formula】
C8H2BrF4NS
【MolWeight】
300.071
【Inchi】
InChI=1S/C8H2BrF4NS/c9-7-5(8(11,12)13)1-4(14-3-15)2-6(7)10/h1-2H
【InChIKey】
InChIKey=JNIYWQVBFBFJEG-UHFFFAOYSA-N
【SMILES】
BrC1=C(C=C(C=C1C(F)(F)F)N=C=S)F
【MOL File】
2-bromo-1-fluoro-5-i….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
2-bromo-1-fluoro-5-isothiocyanato-3-trifluoromethylbenzene.cml