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1786749-99-2 | (S)-7-Fluoro-2-(pyrrolidin-3-yl)isoindolin-1-one hydrochloride
CAS No: 1786749-99-2 Catalog No: AG01EUEC MDL No:
Product Description
Catalog Number:
AG01EUEC
Chemical Name:
(S)-7-Fluoro-2-(pyrrolidin-3-yl)isoindolin-1-one hydrochloride
CAS Number:
1786749-99-2
Molecular Formula:
C12H14ClFN2O
Molecular Weight:
256.7038
IUPAC Name:
7-fluoro-2-[(3S)-pyrrolidin-3-yl]-3H-isoindol-1-one;hydrochloride
InChI:
InChI=1S/C12H13FN2O.ClH/c13-10-3-1-2-8-7-15(12(16)11(8)10)9-4-5-14-6-9;/h1-3,9,14H,4-7H2;1H/t9-;/m0./s1
InChI Key:
FVURYUNLMVVKGE-FVGYRXGTSA-N
SMILES:
Fc1cccc2c1C(=O)N(C2)[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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