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688753-53-9

688753-53-9 | 2-Pyridinecarboxylic acid, 4-chloro-, ethyl ester, hydrochloride

CAS No: 688753-53-9 Catalog No: AG006FZA MDL No:

Product Description

Catalog Number:
AG006FZA
Chemical Name:
2-Pyridinecarboxylic acid, 4-chloro-, ethyl ester, hydrochloride
CAS Number:
688753-53-9
Molecular Formula:
C8H9Cl2NO2
Molecular Weight:
222.0686
IUPAC Name:
ethyl 4-chloropyridine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C8H8ClNO2.ClH/c1-2-12-8(11)7-5-6(9)3-4-10-7;/h3-5H,2H2,1H3;1H
InChI Key:
NFZXXCZXXHPRSX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)ccn1.Cl

Properties

Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.001g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.065g/mol
Monoisotopic Mass:
221.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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