Home Other Building Blocks 5-fluoro-2-(1H-imidazol-1-yl)benzoic acid

5-fluoro-2-(1H-imidazol-1-yl)benzoic acid

CAS No.:
1096306-42-1
Catalog Number:
AG01AKAE
Molecular Formula:
C10H7FN2O2
Molecular Weight:
206.1732
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Product Description
Catalog Number:
AG01AKAE
Chemical Name:
5-fluoro-2-(1H-imidazol-1-yl)benzoic acid
CAS Number:
1096306-42-1
Molecular Formula:
C10H7FN2O2
Molecular Weight:
206.1732
MDL Number:
MFCD11639849
IUPAC Name:
5-fluoro-2-imidazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H7FN2O2/c11-7-1-2-9(8(5-7)10(14)15)13-4-3-12-6-13/h1-6H,(H,14,15)
InChI Key:
URPMRXHWRPAAQS-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)n1cncc1
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.176g/mol
Monoisotopic Mass:
206.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties