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130879-38-8

130879-38-8 | 3-Pyridinecarboxylic acid, 2-chloro-6-cyano-, ethyl ester

CAS No: 130879-38-8 Catalog No: AG000V24 MDL No:

Product Description

Catalog Number:
AG000V24
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-6-cyano-, ethyl ester
CAS Number:
130879-38-8
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
IUPAC Name:
ethyl 2-chloro-6-cyanopyridine-3-carboxylate
InChI:
InChI=1S/C9H7ClN2O2/c1-2-14-9(13)7-4-3-6(5-11)12-8(7)10/h3-4H,2H2,1H3
InChI Key:
SBFJUTOYKJJKLV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1Cl)C#N

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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