CAS
93997-93-4 Purity
96%
93997-93-4 Purity
96%
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tert-Butyl 2-chloro-4-cyanobenzylcarbamate
CAS
939980-27-5
Catalog Number
ACM939980275
Category
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What is the molecular formula of tert-Butyl 2-chloro-4-cyanobenzylcarbamate?
The molecular formula of tert-Butyl 2-chloro-4-cyanobenzylcarbamate is C13H15ClN2O2.
What is the molecular weight of tert-Butyl 2-chloro-4-cyanobenzylcarbamate?
The molecular weight of tert-Butyl 2-chloro-4-cyanobenzylcarbamate is 266.72 g/mol.
What is the IUPAC name of tert-Butyl 2-chloro-4-cyanobenzylcarbamate?
The IUPAC name of tert-Butyl 2-chloro-4-cyanobenzylcarbamate is tert-butyl N-[(2-chloro-4-cyanophenyl)methyl]carbamate.
What is the InChI code of tert-Butyl 2-chloro-4-cyanobenzylcarbamate?
The InChI code of tert-Butyl 2-chloro-4-cyanobenzylcarbamate is InChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-8-10-5-4-9(7-15)6-11(10)14/h4-6H,8H2,1-3H3,(H,16,17).
What is the InChIKey of tert-Butyl 2-chloro-4-cyanobenzylcarbamate?
The InChIKey of tert-Butyl 2-chloro-4-cyanobenzylcarbamate is CZDFVHVDBCSNAJ-UHFFFAOYSA-N.
What is the Canonical SMILES of tert-Butyl 2-chloro-4-cyanobenzylcarbamate?
The Canonical SMILES of tert-Butyl 2-chloro-4-cyanobenzylcarbamate is CC(C)(C)OC(=O)NCC1=C(C=C(C=C1)C#N)Cl.
What is the XLogP3-AA value of tert-Butyl 2-chloro-4-cyanobenzylcarbamate?
The XLogP3-AA value of tert-Butyl 2-chloro-4-cyanobenzylcarbamate is 2.8.
How many hydrogen bond donor counts does tert-Butyl 2-chloro-4-cyanobenzylcarbamate have?
tert-Butyl 2-chloro-4-cyanobenzylcarbamate has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does tert-Butyl 2-chloro-4-cyanobenzylcarbamate have?
tert-Butyl 2-chloro-4-cyanobenzylcarbamate has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does tert-Butyl 2-chloro-4-cyanobenzylcarbamate have?
tert-Butyl 2-chloro-4-cyanobenzylcarbamate has 4 rotatable bond counts.
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