CAS
94386-65-9 Purity
96%
94386-65-9 Purity
96%
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The molecular formula is C9H11FN2O.
The molecular weight is 182.19 g/mol.
The IUPAC name is N-[5-(aminomethyl)-2-fluorophenyl]acetamide.
The InChI is InChI=1S/C9H11FN2O/c1-6(13)12-9-4-7(5-11)2-3-8(9)10/h2-4H,5,11H2,1H3,(H,12,13).
The InChIKey is CHOABEWMGJQRLC-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)NC1=C(C=CC(=C1)CN)F.
The XLogP3 value is 0.2.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.