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1454847-99-4 | Benzoic acid, 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]ethyl]-4-fluoro-, methyl ester
CAS No: 1454847-99-4 Catalog No: AG001D3D MDL No:
Product Description
Catalog Number:
AG001D3D
Chemical Name:
Benzoic acid, 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]ethyl]-4-fluoro-, methyl ester
CAS Number:
1454847-99-4
Molecular Formula:
C15H15FN2O3
Molecular Weight:
290.2896
IUPAC Name:
methyl 2-[1-(2-aminopyridin-3-yl)oxyethyl]-4-fluorobenzoate
InChI:
InChI=1S/C15H15FN2O3/c1-9(21-13-4-3-7-18-14(13)17)12-8-10(16)5-6-11(12)15(19)20-2/h3-9H,1-2H3,(H2,17,18)
InChI Key:
GMFQSQNAGPWXPZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[C@H](Oc1cccnc1N)C)F
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.294g/mol
Monoisotopic Mass:
290.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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