tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate

CAS
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CAS
947258-24-4
Size
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Purity
96%
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Availability
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Catalog Number

ACM947258244

Product Name

tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate

CAS

947258-24-4

Category

Heterocyclic Organic Compound

IUPAC Name

1-(2-methylphenyl)-6-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydropyridazine-3-carboxamide

Molecular Weight

322.36112;g/mol

Molecular Formula

C18H18N4O2

Canonical SMILES

CC1=CC=CC=C1N2C(=O)CCC(=N2)C(=O)NCC3=CN=CC=C3

InChI Key

OPIGWKKEZCDYBC-UHFFFAOYSA-N

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate?

The molecular formula is C14H18FN3O5.

When was tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate created and modified?

It was created on September 25, 2009, and last modified on December 30, 2023.

What is the molecular weight of tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate?

The molecular weight is 327.31 g/mol.

What is the IUPAC name of tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate?

The IUPAC name is tert-butyl N-[2-[(5-fluoro-2-nitrobenzoyl)amino]ethyl]carbamate.

What is the InChI of tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate?

The InChI is InChI=1S/C14H18FN3O5/c1-14(2,3)23-13(20)17-7-6-16-12(19)10-8-9(15)4-5-11(10)18(21)22/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,20).

How many hydrogen bond donor counts does tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate have?

It has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate?

The XLogP3-AA value is 1.8.

How many hydrogen bond acceptor counts does tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate have?

It has 6 hydrogen bond acceptor counts.

What is the topological polar surface area of tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate?

The topological polar surface area is 113 Å2.

Is tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate a canonicalized compound?

Yes, it is a canonicalized compound.

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