960389-55-3
3-[(3-Bromophenyl)(isothiocyanato)methyl]furan
Name3-[(3-Bromophenyl)(isothiocyanato)methyl]furan
1Identification
【Name】
3-[(3-Bromophenyl)(isothiocyanato)methyl]furan
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H8BrNOS
【MolWeight】
294.167
【Inchi】
InChI=1S/C12H8BrNOS/c13-11-3-1-2-9(6-11)12(14-8-16)10-4-5-15-7-10/h1-7,12H
【InChIKey】
InChIKey=WXMBBNDFRMNCLC-UHFFFAOYSA-N
【SMILES】
BrC=1C=C(C=CC1)C(C1=COC=C1)N=C=S
【MOL File】
3-[(3-Bromophenyl)(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
3-[(3-Bromophenyl)(isothiocyanato)methyl]furan.cml