Home Other Building Blocks 3-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid

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

CAS No.:
1179674-26-0
Catalog Number:
AG01A8FK
Molecular Formula:
C11H9IN2O3
Molecular Weight:
344.1052
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Product Description
Catalog Number:
AG01A8FK
Chemical Name:
3-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CAS Number:
1179674-26-0
Molecular Formula:
C11H9IN2O3
Molecular Weight:
344.1052
MDL Number:
MFCD12829766
IUPAC Name:
3-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
InChI:
InChI=1S/C11H9IN2O3/c12-8-4-2-1-3-7(8)11-14-13-9(17-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChI Key:
GYNVBDWLTVCMBJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nnc(o1)c1ccccc1I
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.966g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
344.108g/mol
Monoisotopic Mass:
343.966g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties