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1643571-00-9 | (R)-6-Fluoro-2-(piperidin-3-yl)isoindolin-1-one hydrochloride
CAS No: 1643571-00-9 Catalog No: AG01EUAP MDL No:
Product Description
Catalog Number:
AG01EUAP
Chemical Name:
(R)-6-Fluoro-2-(piperidin-3-yl)isoindolin-1-one hydrochloride
CAS Number:
1643571-00-9
Molecular Formula:
C13H16ClFN2O
Molecular Weight:
270.7303
IUPAC Name:
6-fluoro-2-[(3R)-piperidin-3-yl]-3H-isoindol-1-one;hydrochloride
InChI:
InChI=1S/C13H15FN2O.ClH/c14-10-4-3-9-8-16(13(17)12(9)6-10)11-2-1-5-15-7-11;/h3-4,6,11,15H,1-2,5,7-8H2;1H/t11-;/m1./s1
InChI Key:
WRFABMXJYGEVGY-RFVHGSKJSA-N
SMILES:
Fc1ccc2c(c1)C(=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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