Home Halogens 2-Pyridinecarboxylic acid, 5-chloro-, ethyl ester

2-Pyridinecarboxylic acid, 5-chloro-, ethyl ester

CAS No.:
128072-93-5
Catalog Number:
AG000XQ3
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
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Product Description
Catalog Number:
AG000XQ3
Chemical Name:
2-Pyridinecarboxylic acid, 5-chloro-, ethyl ester
CAS Number:
128072-93-5
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD07772018
IUPAC Name:
ethyl 5-chloropyridine-2-carboxylate
InChI:
InChI=1S/C8H8ClNO2/c1-2-12-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChI Key:
BEBBWTPLBRZIOF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cn1)Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties