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Molecular structure of 6-Chloronicotinic acid tert-butyl ester (CAS NO.115309-57-4) is:
Product Name: 6-Chloronicotinic acid tert-butyl ester
CAS Registry Number: 115309-57-4
Systematic Name: tert-butyl 6-chloropyridine-3-carboxylate
Molecular Formula: C10H12ClNO2
Molecular Weight: 213.66
Index of Refraction: 1.515 Molar
Refractivity: 54.877 cm3
Molar Volume: 182.069 cm3
Surface Tension: 39.55 dyne/cm
Density: 1.174 g/cm3
Flash Point: 117.498 °C
Enthalpy of Vaporization: 50.886 kJ/mol
Boiling Point: 270.671 °C at 760 mmHg
Vapour Pressure: 0.007 mmHg at 25 °C
SMILES: Clc1ncc(C(=O)OC(C)(C)C)cc1
InChI: InChI=1/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3
InChIKey: OFRLMTIBUAXBGV-UHFFFAOYAZ
Std. InChI: InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3
Std. InChIKey: OFRLMTIBUAXBGV-UHFFFAOYSA-N