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39073-14-8

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CAS No.: 39073-14-8
Name: 2-Chloro-6-methyl-3-pyridinecarboxylic acid ethyl ester
Article Data: 12
Molecular Structure:
Molecular Structure of 39073-14-8 (2-Chloro-6-methyl-3-pyridinecarboxylic acid ethyl ester)
Formula: C9H10ClNO2
Molecular Weight: 199.637
Synonyms: 2-Chloro-6-methyl-3-pyridinecarboxylic acid ethyl ester;
Density: 1.207
Melting Point: 27-29 oC
Boiling Point: 269 oC
Flash Point: 117 oC
PSA: 39.19000
LogP: 2.22010
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Chemistry

Molecular Structure of Ethyl 2-chloro-6-methylnicotinate (CAS NO.39073-14-8):

IUPAC Name: Ethyl 2-chloro-6-methylpyridine-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(N=C(C=C1)C)Cl
InChI: InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-5-4-6(2)11-8(7)10/h4-5H,3H2,1-2H3 
InChIKey: MRPGVPAVDMEQED-UHFFFAOYSA-N
Molecular Weight: 199.6342 [g/mol]  
Molecular Formula: C9H10ClNO2  
XLogP3-AA: 2.4  
H-Bond Donor: 0  
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 4
Exact Mass: 199.040006
MonoIsotopic Mass: 199.040006
Topological Polar Surface Area: 39.2
Heavy Atom Count: 13
Complexity: 187
Index of Refraction: 1.523 
Molar Refractivity: 50.47 cm3 
Molar Volume: 165.283 cm3
Surface Tension: 41.524 dyne/cm 
Density: 1.208 g/cm3 
Flash Point: 116.818 °C 
Enthalpy of Vaporization: 50.768 kJ/mol 
Boiling Point: 269.546 °C at 760 mmHg 
Vapour Pressure: 0.007 mmHg at 25 °C 
Product Categories: pharmacetical

Specification

 Ethyl 2-chloro-6-methylnicotinate (CAS NO.39073-14-8), its Synonyms are 2-Chloro-6-methyl-3-pyridinecarboxylic acid ethyl ester ; 3-Pyridinecarboxylic acid, 2-chloro-6-methyl-, ethyl ester ; Ethyl 2-chloro-6-methyl-3-pyridinecarboxylate .