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689150-60-5

689150-60-5 | 3-Pyridinecarboxylic acid, 2-chloro-6-methyl-, phenylmethyl ester

CAS No: 689150-60-5 Catalog No: AG006FV3 MDL No:

Product Description

Catalog Number:
AG006FV3
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-6-methyl-, phenylmethyl ester
CAS Number:
689150-60-5
Molecular Formula:
C14H12ClNO2
Molecular Weight:
261.7036
IUPAC Name:
benzyl 2-chloro-6-methylpyridine-3-carboxylate
InChI:
InChI=1S/C14H12ClNO2/c1-10-7-8-12(13(15)16-10)14(17)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChI Key:
AZJDHIFQQJXSCW-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(n1)Cl)C(=O)OCc1ccccc1

Properties

Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.056g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.705g/mol
Monoisotopic Mass:
261.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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