CAS
947249-44-7 Purity
96%
947249-44-7 Purity
96%
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tert-Butyl 2-(5-fluoro-2-nitrobenzamido)ethylcarbamate
CAS
947258-24-4
Catalog Number
ACM947258244
Category
Other Products
Molecular Weight
322.36112;g/mol
Molecular Formula
C18H18N4O2
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Specification
IUPAC Name
1-(2-methylphenyl)-6-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
Canonical SMILES
CC1=CC=CC=C1N2C(=O)CCC(=N2)C(=O)NCC3=CN=CC=C3
InChI Key
OPIGWKKEZCDYBC-UHFFFAOYSA-N
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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