CAS
920-25-2 Purity
96%
920-25-2 Purity
96%
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Specification
The molecular formula is C10H12FN.
The molecular weight is 165.21 g/mol.
The IUPAC name is (2S)-2-(3-fluorophenyl)pyrrolidine.
The InChI is InChI=1S/C10H12FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2/t10-/m0/s1.
The InChIKey is OADZVVBVXBBMPW-JTQLQIEISA-N.
The canonical SMILES is C1CC(NC1)C2=CC(=CC=C2)F.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.
It has 1 rotatable bond count.
Yes, it is a canonicalized compound.