5-(3-Chlorophenyl)nicotinic acid - CAS 375853-95-5
Catalog: |
BB069602 |
Product Name: |
5-(3-Chlorophenyl)nicotinic acid |
CAS: |
375853-95-5 |
Synonyms: |
5-(3-Chlorophenyl)nicotinic acid; 5-(3-chlorophenyl)pyridine-3-carboxylic acid; 5-(3-Chlorophenyl)nicotinicacid; 5-(3-chlorophenyl)-nicotinic acid |
IUPAC Name: | 5-(3-chlorophenyl)pyridine-3-carboxylic acid |
Description: | 5-(3-Chlorophenyl)nicotinic acid |
Molecular Weight: | 233.65 |
Molecular Formula: | C12H8ClNO2 |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C2=CC(=CN=C2)C(=O)O |
InChI: | InChI=1S/C12H8ClNO2/c13-11-3-1-2-8(5-11)9-4-10(12(15)16)7-14-6-9/h1-7H,(H,15,16) |
InChI Key: | QTMFBTMLLNVUPT-UHFFFAOYSA-N |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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