Home Other Building Blocks 2-fluoro-4-(pyrimidin-5-yl)benzoic acid

2-fluoro-4-(pyrimidin-5-yl)benzoic acid

CAS No.:
1248734-00-0
Catalog Number:
AG01AFA3
Molecular Formula:
C11H7FN2O2
Molecular Weight:
218.1839
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Product Description
Catalog Number:
AG01AFA3
Chemical Name:
2-fluoro-4-(pyrimidin-5-yl)benzoic acid
CAS Number:
1248734-00-0
Molecular Formula:
C11H7FN2O2
Molecular Weight:
218.1839
MDL Number:
MFCD16778915
IUPAC Name:
2-fluoro-4-pyrimidin-5-ylbenzoic acid
InChI:
InChI=1S/C11H7FN2O2/c12-10-3-7(1-2-9(10)11(15)16)8-4-13-6-14-5-8/h1-6H,(H,15,16)
InChI Key:
RMUQWUBAIYXPGE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1F)c1cncnc1
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