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1258269-08-7 | 3-Pyridinecarboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
CAS No: 1258269-08-7 Catalog No: AG000OSZ MDL No:MFCD20231497
Product Description
Catalog Number:
AG000OSZ
Chemical Name:
3-Pyridinecarboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
CAS Number:
1258269-08-7
Molecular Formula:
C14H12ClNO2
Molecular Weight:
261.7036
MDL Number:
MFCD20231497
IUPAC Name:
ethyl 5-(4-chlorophenyl)pyridine-3-carboxylate
InChI:
InChI=1S/C14H12ClNO2/c1-2-18-14(17)12-7-11(8-16-9-12)10-3-5-13(15)6-4-10/h3-9H,2H2,1H3
InChI Key:
NIALGMCPMKETDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cncc(c1)c1ccc(cc1)Cl
Properties
Complexity:
277
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:
3.3
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