871942-51-7
1-bromo-3-{isothiocyanato[4-(trifluoromethoxy)phenyl]methyl}benzene
Name1-bromo-3-{isothiocyanato[4-(trifluoromethoxy)phenyl]methyl}benzene
1Identification
【Name】
1-bromo-3-{isothiocyanato[4-(trifluoromethoxy)phenyl]methyl}benzene
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H9BrF3NOS
【MolWeight】
388.202
【Inchi】
InChI=1S/C15H9BrF3NOS/c16-12-3-1-2-11(8-12)14(20-9-22)10-4-6-13(7-5-10)21-15(17,18)19/h1-8,14H
【InChIKey】
InChIKey=KBFLLOAGKPFHRR-UHFFFAOYSA-N
【SMILES】
BrC1=CC(=CC=C1)C(C1=CC=C(C=C1)OC(F)(F)F)N=C=S
【MOL File】
1-bromo-3-{isothiocy….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
1-bromo-3-{isothiocyanato[4-(trifluoromethoxy)phenyl]methyl}benzene.cml