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Home > Fluorides > 1787444-98-7
1787444-98-7 | (S)-4-Fluoro-2-(piperidin-3-yl)isoindolin-1-one
CAS No: 1787444-98-7 Catalog No: AG01EUEO MDL No:
Product Description
Catalog Number:
AG01EUEO
Chemical Name:
(S)-4-Fluoro-2-(piperidin-3-yl)isoindolin-1-one
CAS Number:
1787444-98-7
Molecular Formula:
C13H15FN2O
Molecular Weight:
234.2694
IUPAC Name:
4-fluoro-2-[(3S)-piperidin-3-yl]-3H-isoindol-1-one
InChI:
InChI=1S/C13H15FN2O/c14-12-5-1-4-10-11(12)8-16(13(10)17)9-3-2-6-15-7-9/h1,4-5,9,15H,2-3,6-8H2/t9-/m0/s1
InChI Key:
QXLBBIASRURMAJ-VIFPVBQESA-N
SMILES:
Fc1cccc2c1CN(C2=O)[C@H]1CCCNC1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
234.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.274g/mol
Monoisotopic Mass:
234.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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