Molecular structure of 2-Chloronicotinic acid (CAS NO.2942-59-8) is:
Product Name: 2-Chloronicotinic acid
CAS Registry Number: 2942-59-8
IUPAC Name: 2-chloropyridine-3-carboxylic Acid
Molecular Weight: 157.55446 [g/mol]
Molecular Formula: C6H4ClNO2
XLogP3-AA: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 3
EINECS: 220-937-0
Melting Point: 176-178 °C (dec.)(lit.)
Index of Refraction: 1.59
Molar Refractivity: 36.16 cm3
Molar Volume: 107.1 cm3
Surface Tension: 61 dyne/cm
Density: 1.47 g/cm3
Flash Point: 145.4 °C
Enthalpy of Vaporization: 58.93 kJ/mol
Boiling Point: 316.8 °C at 760 mmHg
Vapour Pressure: 0.000168 mmHg at 25 °C
Product Categories: blocks;Carboxes;Pyridines;Pyridine;Acids and Derivatives;Heterocycles;Pyridines, Pyrimidines, Purines and Pteredines;Carboxylic Acids;Organic acids;Diflufenican;Chloropyridines;Halopyridines;Carboxylic Acids
Canonical SMILES: C1=CC(=C(N=C1)Cl)C(=O)O
InChI: InChI=1S/C6H4ClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
InChIKey: IBRSSZOHCGUTHI-UHFFFAOYSA-N