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Home > Fluorides > 1786519-84-3
1786519-84-3 | (S)-7-Fluoro-2-(piperidin-3-yl)isoindolin-1-one hydrochloride
CAS No: 1786519-84-3 Catalog No: AG01EUE9 MDL No:
Product Description
Catalog Number:
AG01EUE9
Chemical Name:
(S)-7-Fluoro-2-(piperidin-3-yl)isoindolin-1-one hydrochloride
CAS Number:
1786519-84-3
Molecular Formula:
C13H16ClFN2O
Molecular Weight:
270.7303
IUPAC Name:
7-fluoro-2-[(3S)-piperidin-3-yl]-3H-isoindol-1-one;hydrochloride
InChI:
InChI=1S/C13H15FN2O.ClH/c14-11-5-1-3-9-8-16(13(17)12(9)11)10-4-2-6-15-7-10;/h1,3,5,10,15H,2,4,6-8H2;1H/t10-;/m0./s1
InChI Key:
GWJWIMOKSLOUAR-PPHPATTJSA-N
SMILES:
Fc1cccc2c1C(=O)N(C2)[C@H]1CCCNC1.Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
270.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.732g/mol
Monoisotopic Mass:
270.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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