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Home > Fluorides > 820231-85-4
820231-85-4 | Pyridine, 3-(6-fluoro-1-hexynyl)-5-[(2S)-2-pyrrolidinylmethoxy]-
CAS No: 820231-85-4 Catalog No: AG0053OJ MDL No:
Product Description
Catalog Number:
AG0053OJ
Chemical Name:
Pyridine, 3-(6-fluoro-1-hexynyl)-5-[(2S)-2-pyrrolidinylmethoxy]-
CAS Number:
820231-85-4
Molecular Formula:
C16H21FN2O
Molecular Weight:
276.3491
IUPAC Name:
3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
InChI:
InChI=1S/C16H21FN2O/c17-8-4-2-1-3-6-14-10-16(12-18-11-14)20-13-15-7-5-9-19-15/h10-12,15,19H,1-2,4-5,7-9,13H2/t15-/m0/s1
InChI Key:
JLNZIHVXZLIMGU-HNNXBMFYSA-N
SMILES:
FCCCCC#Cc1cncc(c1)OC[C@@H]1CCCN1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
276.164g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.355g/mol
Monoisotopic Mass:
276.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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