Home Halogens 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS No.:
1197827-84-1
Catalog Number:
AG019W93
Molecular Formula:
C9H7BrN2O3S
Molecular Weight:
303.1325
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Product Description
Catalog Number:
AG019W93
Chemical Name:
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CAS Number:
1197827-84-1
Molecular Formula:
C9H7BrN2O3S
Molecular Weight:
303.1325
MDL Number:
MFCD12912921
IUPAC Name:
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
InChI:
InChI=1S/C9H7BrN2O3S/c10-5-3-6(16-4-5)9-11-7(15-12-9)1-2-8(13)14/h3-4H,1-2H2,(H,13,14)
InChI Key:
PYAKZMXFESFQTN-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1onc(n1)c1scc(c1)Br
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.936g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.13g/mol
Monoisotopic Mass:
301.936g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties