1242269-81-3
4-chloro-2-fluoro-5-isothiocyanatobenzonitrile
Name4-chloro-2-fluoro-5-isothiocyanatobenzonitrile
1Identification
【Name】
4-chloro-2-fluoro-5-isothiocyanatobenzonitrile
【CAS】
【MDL】
【English Synonyms】
【Formula】
C8H2ClFN2S
【MolWeight】
212.631
【Inchi】
InChI=1S/C8H2ClFN2S/c9-6-2-7(10)5(3-11)1-8(6)12-4-13/h1-2H
【InChIKey】
InChIKey=LZIZXCCECPIGGE-UHFFFAOYSA-N
【SMILES】
ClC1=CC(=C(C#N)C=C1N=C=S)F
【MOL File】
4-chloro-2-fluoro-5-….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
4-chloro-2-fluoro-5-isothiocyanatobenzonitrile.cml