6-(2-Chlorophenyl)nicotinic Acid - CAS 505082-72-4
Catalog: |
BB027084 |
Product Name: |
6-(2-Chlorophenyl)nicotinic Acid |
CAS: |
505082-72-4 |
Synonyms: |
6-(2-chlorophenyl)-3-pyridinecarboxylic acid; 6-(2-chlorophenyl)pyridine-3-carboxylic acid |
IUPAC Name: | 6-(2-chlorophenyl)pyridine-3-carboxylic acid |
Description: | 6-(2-Chlorophenyl)nicotinic Acid (CAS# 505082-72-4) is a useful research chemical. |
Molecular Weight: | 233.65 |
Molecular Formula: | C12H8ClNO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NC=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C12H8ClNO2/c13-10-4-2-1-3-9(10)11-6-5-8(7-14-11)12(15)16/h1-7H,(H,15,16) |
InChI Key: | VXJAZQMICITSTL-UHFFFAOYSA-N |
LogP: | 3.70520 |
Publication Number | Title | Priority Date |
DE-602004011348-T2 | INDANDERIVATES AS MUSCARIN RECEPTOR AGONISTS | 20030703 |
EP-1644320-B1 | Indane derivates as muscarinic receptor agonists | 20030703 |
US-2007060587-A1 | Indane derivates as muscarinic receptor agonists | 20030703 |
US-7265246-B2 | Indane derivates as muscarinic receptor agonists | 20030703 |
EP-1608617-B1 | Muscarinic agonists | 20030321 |
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: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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