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1786969-20-7 | (S)-5-Fluoro-2-(pyrrolidin-3-yl)isoindolin-1-one hydrochloride
CAS No: 1786969-20-7 Catalog No: AG01EUEG MDL No:
Product Description
Catalog Number:
AG01EUEG
Chemical Name:
(S)-5-Fluoro-2-(pyrrolidin-3-yl)isoindolin-1-one hydrochloride
CAS Number:
1786969-20-7
Molecular Formula:
C12H14ClFN2O
Molecular Weight:
256.7038
IUPAC Name:
5-fluoro-2-[(3S)-pyrrolidin-3-yl]-3H-isoindol-1-one;hydrochloride
InChI:
InChI=1S/C12H13FN2O.ClH/c13-9-1-2-11-8(5-9)7-15(12(11)16)10-3-4-14-6-10;/h1-2,5,10,14H,3-4,6-7H2;1H/t10-;/m0./s1
InChI Key:
JTMKLKNVUSRTAD-PPHPATTJSA-N
SMILES:
Fc1ccc2c(c1)CN(C2=O)[C@@H]1CNCC1.Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
256.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.705g/mol
Monoisotopic Mass:
256.078g/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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