5-(4-Carboxy-3-fluorophenyl)nicotinic acid - CAS 1258613-93-2
Catalog: |
BB070575 |
Product Name: |
5-(4-Carboxy-3-fluorophenyl)nicotinic acid |
CAS: |
1258613-93-2 |
Synonyms: |
5-(4-CARBOXY-3-FLUOROPHENYL)NICOTINIC ACID; 5-(4-carboxy-3-fluorophenyl)pyridine-3-carboxylic acid; 5-(4-Carboxy-3-fluorophenyl)nicotinicacid |
IUPAC Name: | 5-(4-carboxy-3-fluorophenyl)pyridine-3-carboxylic acid |
Description: | 5-(4-Carboxy-3-fluorophenyl)nicotinic acid |
Molecular Weight: | 261.21 |
Molecular Formula: | C13H8FNO4 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=CN=C2)C(=O)O)F)C(=O)O |
InChI: | InChI=1S/C13H8FNO4/c14-11-4-7(1-2-10(11)13(18)19)8-3-9(12(16)17)6-15-5-8/h1-6H,(H,16,17)(H,18,19) |
InChI Key: | HODASSBFEUUHHM-UHFFFAOYSA-N |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.0437359 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.0437359 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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