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Home > Fluorides > 1439902-96-1
1439902-96-1 | 6-Fluoro-2-(piperidin-4-yl)-2,3-dihydro-1H-isoindol-1-one
CAS No: 1439902-96-1 Catalog No: AG01F7BX MDL No:
Product Description
Catalog Number:
AG01F7BX
Chemical Name:
6-Fluoro-2-(piperidin-4-yl)-2,3-dihydro-1H-isoindol-1-one
CAS Number:
1439902-96-1
Molecular Formula:
C13H15FN2O
Molecular Weight:
234.2694
IUPAC Name:
6-fluoro-2-piperidin-4-yl-3H-isoindol-1-one
InChI:
InChI=1S/C13H15FN2O/c14-10-2-1-9-8-16(13(17)12(9)7-10)11-3-5-15-6-4-11/h1-2,7,11,15H,3-6,8H2
InChI Key:
BOGBEHQXBBNZEQ-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C(=O)N(C2)C1CCNCC1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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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