1029592-82-2
1-bromo-3-[cyclopropyl(isothiocyanato)methyl]benzene
Name1-bromo-3-[cyclopropyl(isothiocyanato)methyl]benzene
1Identification
【Name】
1-bromo-3-[cyclopropyl(isothiocyanato)methyl]benzene
【CAS】
【MDL】
【English Synonyms】
【Formula】
C11H10BrNS
【MolWeight】
268.173
【Inchi】
InChI=1S/C11H10BrNS/c12-10-3-1-2-9(6-10)11(13-7-14)8-4-5-8/h1-3,6,8,11H,4-5H2
【InChIKey】
InChIKey=WLGQNQCRKNOWHU-UHFFFAOYSA-N
【SMILES】
BrC1=CC(=CC=C1)C(N=C=S)C1CC1
【MOL File】
1-bromo-3-[cycloprop….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-[cyclopropyl(isothiocyanato)methyl]benzene.cml