F8880-7219
Product ID: F8880-7219
Collection: Screening compounds, Building blocks
C7H4BrClN2OS
CAS RN848658-82-2FormulaC7H4BrClN2OSPurity95%+Statesolid
IUPAC name2-(5-bromothiophen-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccc(Br)s2)o1
InChiInChI=1S/C7H4BrClN2OS/c8-5-2-1-4(13-5)7-11-10-6(3-9)12-7/h1-2H,3H2
InChi KeyKSHMYYGVWCHTTB-UHFFFAOYSA-N
MW279.55 [46.07...1702.72]
radaChart
Fsp30.14 [0...1.00]
cLogP2.35 [-11.42...28.50]
cLogSw-4.20 [-19.49...5.44]
TPSA38.92 [0...519.07]
HBD0 [0...10]
HBA3 [0...28]
ROTB2 [0...72]
AROM2 [0...16]
DL0.79 [0.02...0.95]
UA stock: 6218.7 mg
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