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209530-93-8 | Pyridine, 3-[(2S)-2-azetidinylmethoxy]-2-fluoro-, 2,2,2-trifluoroacetate (1:?)
CAS No: 209530-93-8 Catalog No: AG002K9Z MDL No:
Product Description
Catalog Number:
AG002K9Z
Chemical Name:
Pyridine, 3-[(2S)-2-azetidinylmethoxy]-2-fluoro-, 2,2,2-trifluoroacetate (1:?)
CAS Number:
209530-93-8
Molecular Formula:
C11H12F4N2O3
Molecular Weight:
296.2182
IUPAC Name:
3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine;(2R,3R)-2,3-dihydroxybutanedioic acid
InChI:
InChI=1S/C9H11FN2O.C4H6O6/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7;5-1(3(7)8)2(6)4(9)10/h1-2,4,7,11H,3,5-6H2;1-2,5-6H,(H,7,8)(H,9,10)/t7-;1-,2-/m01/s1
InChI Key:
VVYUNFMRQGFJQZ-QXJKSQRWSA-N
SMILES:
OC(=O)C(F)(F)F.Fc1ncccc1OC[C@@H]1CCN1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
332.102g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
332.284g/mol
Monoisotopic Mass:
332.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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