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23586-87-0 | 5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester
CAS No: 23586-87-0 Catalog No: AG002NRC MDL No:
Product Description
Catalog Number:
AG002NRC
Chemical Name:
5-Isoxazolecarboxylic acid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester
CAS Number:
23586-87-0
Molecular Formula:
C11H9FN2O3
Molecular Weight:
236.1992
IUPAC Name:
(5-fluoropyridin-3-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C11H9FN2O3/c1-7-2-10(17-14-7)11(15)16-6-8-3-9(12)5-13-4-8/h2-5H,6H2,1H3
InChI Key:
VRLSYDOCTNADON-UHFFFAOYSA-N
SMILES:
Fc1cncc(c1)COC(=O)c1onc(c1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.202g/mol
Monoisotopic Mass:
236.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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