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23586-88-1 | 3-Pyridinecarboxylic acid, 5-fluoro-, 1,2-ethanediyl ester (9CI)
CAS No: 23586-88-1 Catalog No: AG002NRB MDL No:
Product Description
Catalog Number:
AG002NRB
Chemical Name:
3-Pyridinecarboxylic acid, 5-fluoro-, 1,2-ethanediyl ester (9CI)
CAS Number:
23586-88-1
Molecular Formula:
C14H10F2N2O4
Molecular Weight:
308.2370
IUPAC Name:
2-(5-fluoropyridine-3-carbonyl)oxyethyl 5-fluoropyridine-3-carboxylate
InChI:
InChI=1S/C14H10F2N2O4/c15-11-3-9(5-17-7-11)13(19)21-1-2-22-14(20)10-4-12(16)8-18-6-10/h3-8H,1-2H2
InChI Key:
ZYRKGMKFBGAAOZ-UHFFFAOYSA-N
SMILES:
Fc1cncc(c1)C(=O)OCCOC(=O)c1cncc(c1)F
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.061g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.241g/mol
Monoisotopic Mass:
308.061g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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