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1439897-78-5 | 5-Fluoro-2-(piperidin-4-yl)-2,3-dihydro-1H-isoindol-1-one hydrochloride
CAS No: 1439897-78-5 Catalog No: AG01F4V8 MDL No:
Product Description
Catalog Number:
AG01F4V8
Chemical Name:
5-Fluoro-2-(piperidin-4-yl)-2,3-dihydro-1H-isoindol-1-one hydrochloride
CAS Number:
1439897-78-5
Molecular Formula:
C13H16ClFN2O
Molecular Weight:
270.7303
IUPAC Name:
5-fluoro-2-piperidin-4-yl-3H-isoindol-1-one;hydrochloride
InChI:
InChI=1S/C13H15FN2O.ClH/c14-10-1-2-12-9(7-10)8-16(13(12)17)11-3-5-15-6-4-11;/h1-2,7,11,15H,3-6,8H2;1H
InChI Key:
NEHIQYTYFJZCKR-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)CN(C2=O)C1CCNCC1.Cl
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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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