CAS
939756-93-1 Purity
96%
939756-93-1 Purity
96%
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[2-Hydroxy-2-(4-nitro-phenyl)-ethyl]-carbamic acid tert-butyl ester
CAS
939757-25-2
Catalog Number
ACM939757252
Category
Other Products
Molecular Weight
282.29
Molecular Formula
C13H18N2O5
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Specification
Synonyms
[2-HYDROXY-2-(4-NITRO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER;[2-(4-NITROPHENYL)-2-HYDROXYETHYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
What is the molecular formula of [2-Hydroxy-2-(4-nitro-phenyl)-ethyl]-carbamic acid tert-butyl ester?
The molecular formula is C13H18N2O5.
When was the structure of the compound last modified?
The structure was last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is tert-butyl N-[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamate.
What is the InChI of the compound?
The InChI is InChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)14-8-11(16)9-4-6-10(7-5-9)15(18)19/h4-7,11,16H,8H2,1-3H3,(H,14,17).
What is the InChIKey of the compound?
The InChIKey is KGKAWXRTWRYBLB-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(C)(C)OC(=O)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts.
What is the XLogP3 value of the compound?
The XLogP3 value is 1.7.
How many rotatable bond counts are there in the compound?
There are 5 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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