898747-61-0
5,7-DIFLUORO-2(3H)-BENZOTHIAZOLONE
Name
5,7-DIFLUORO-2(3H)-BENZOTHIAZOLONE
Formula
C7 H3 F2 N O S
MolWeight
187.169
1Identification
【Name】
5,7-DIFLUORO-2(3H)-BENZOTHIAZOLONE
【CAS】
【MDL】
MFCD09748547
【English Synonyms】
【Formula】
C7 H3 F2 N O S
【MolWeight】
187.169
【Inchi】
InChI=1S/C7H3F2NOS/c8-3-1-4(9)6-5(2-3)10-7(11)12-6/h1-2H,(H,10,11)
【InChIKey】
InChIKey=IDKYBFIFIQDUBD-UHFFFAOYSA-N
【SMILES】
c1c(cc(c2c1[nH]c(=O)s2)F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,7-DIFLUORO-2(3H)-BENZOTHIAZOLONE.cml
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