CAS
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4-(Fmoc-amino)benzonitrile
Catalog Number
ACMA00002686
Category
Ethers
Molecular Weight
340.37
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Specification
Hazard Statements
H317
RIDADR
UN 3077 9 / PGIII
Symbol
GHS07
What is the molecular formula of the compound 4-(Fmoc-amino)benzonitrile?
The molecular formula is C22H16N2O2.
What is the molecular weight of 4-(Fmoc-amino)benzonitrile?
The molecular weight is 340.4 g/mol.
What is the IUPAC name of 4-(Fmoc-amino)benzonitrile?
The IUPAC name is 9H-fluoren-9-ylmethyl N-(4-cyanophenyl)carbamate.
What is the InChI of 4-(Fmoc-amino)benzonitrile?
The InChI is InChI=1S/C22H16N2O2/c23-13-15-9-11-16(12-10-15)24-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,14H2,(H,24,25).
What is the InChIKey of 4-(Fmoc-amino)benzonitrile?
The InChIKey is GGFSOILXTNKWET-UHFFFAOYSA-N.
What is the canonical SMILES of 4-(Fmoc-amino)benzonitrile?
The canonical SMILES is C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=C(C=C4)C#N.
How many hydrogen bond donor counts does 4-(Fmoc-amino)benzonitrile have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 4-(Fmoc-amino)benzonitrile have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 4-(Fmoc-amino)benzonitrile?
The topological polar surface area is 62.1 Ų.
Is the compound 4-(Fmoc-amino)benzonitrile canonicalized?
Yes, the compound is canonicalized.
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