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Specification
The molecular formula of 3-(Fmoc-amino)benzonitrile is C22H16N2O2.
The synonyms for 3-(Fmoc-amino)benzonitrile are "1375084-45-9", "(9H-Fluoren-9-yl)methyl (3-cyanophenyl)carbamate", and "3-(Fmoc-amino)benzonitrile, 97% MFCD20265281".
The molecular weight of 3-(Fmoc-amino)benzonitrile is 340.4 g/mol.
The IUPAC name of 3-(Fmoc-amino)benzonitrile is "9H-fluoren-9-ylmethyl N-(3-cyanophenyl)carbamate".
The InChI of 3-(Fmoc-amino)benzonitrile is "InChI=1S/C22H16N2O2/c23-13-15-6-5-7-16(12-15)24-22(25)26-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21H,14H2,(H,24,25)".
The InChIKey of 3-(Fmoc-amino)benzonitrile is "SMYGNDZAWDSFSD-UHFFFAOYSA-N".
The canonical SMILES of 3-(Fmoc-amino)benzonitrile is "C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC(=C4)C#N".
The XLogP3-AA value of 3-(Fmoc-amino)benzonitrile is 4.3.
3-(Fmoc-amino)benzonitrile has 1 hydrogen bond donor count.
3-(Fmoc-amino)benzonitrile has 4 rotatable bond count.