(2-Amino-4-fluoro-phenyl)-carbamic acid tert-butyl ester

• Catalog Number: ACMA00002131
• Category: Ethers
• Molecular Weight: 226.25
• Molecular Formula: C₁₁H₁₄O₄
• Hazard Statements: H302-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C11H15FN2O2.

What is the molecular weight of the compound?

The molecular weight of the compound is 226.25 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is tert-butyl N-(2-amino-4-fluorophenyl)carbamate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15).

What is the InChIKey of the compound?

The InChIKey of the compound is IBKSOWUYKOORFF-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)(C)OC(=O)NC1=C(C=C(C=C1)F)N.

What is the CAS number of the compound?

The CAS number of the compound is 579474-47-8.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.9.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.