Home Other Building Blocks 5-fluoro-2-(pyrimidin-2-yl)benzoic acid

5-fluoro-2-(pyrimidin-2-yl)benzoic acid

CAS No.:
1293284-57-7
Catalog Number:
AG01DHBF
Molecular Formula:
C11H7FN2O2
Molecular Weight:
218.1839
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Product Description
Catalog Number:
AG01DHBF
Chemical Name:
5-fluoro-2-(pyrimidin-2-yl)benzoic acid
CAS Number:
1293284-57-7
Molecular Formula:
C11H7FN2O2
Molecular Weight:
218.1839
MDL Number:
MFCD24481550
IUPAC Name:
5-fluoro-2-pyrimidin-2-ylbenzoic acid
InChI:
InChI=1S/C11H7FN2O2/c12-7-2-3-8(9(6-7)11(15)16)10-13-4-1-5-14-10/h1-6H,(H,15,16)
InChI Key:
GWFSRJKDYXADOG-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)c1ncccn1
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.049g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.187g/mol
Monoisotopic Mass:
218.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties