Home Other Building Blocks 2-{[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid

2-{[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid

CAS No.:
1410597-97-5
Catalog Number:
AG01ACTW
Molecular Formula:
C11H9FN2O3S
Molecular Weight:
268.2642
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Product Description
Catalog Number:
AG01ACTW
Chemical Name:
2-{[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid
CAS Number:
1410597-97-5
Molecular Formula:
C11H9FN2O3S
Molecular Weight:
268.2642
MDL Number:
MFCD17148839
IUPAC Name:
2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
InChI:
InChI=1S/C11H9FN2O3S/c1-6-2-3-7(12)4-8(6)10-13-11(17-14-10)18-5-9(15)16/h2-4H,5H2,1H3,(H,15,16)
InChI Key:
CLWUIECVWQIPHC-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1onc(n1)c1cc(F)ccc1C
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.032g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.262g/mol
Monoisotopic Mass:
268.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties