CAS
937-23-5 Purity
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937-23-5 Purity
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tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate
CAS
937263-40-6
Catalog Number
ACM937263406
Category
Other Products
Molecular Weight
345.35000
Molecular Formula
C17H19N3O5
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Specification
Synonyms
CARBAMIC ACID, N-[4-(2-METHYL-4-NITROPHENOXY)-2-PYRIDINYL]-, 1,1-DIMETHYLETHYL ESTER;
IUPAC Name
Carbamic acid, N-[4-(2-methyl-4-nitrophenoxy)-2-pyridinyl]-, 1,1-dimet...
Boiling Point
436.4±45.0 °C (760 mmHg)
Density
1.277±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
345.13200
What is the molecular formula of tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate?
The molecular formula is C17H19N3O5.
What is the molecular weight of tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate?
The molecular weight is 345.3 g/mol.
What is the IUPAC name of tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate?
The IUPAC name is tert-butyl N-[4-(2-methyl-4-nitrophenoxy)pyridin-2-yl]carbamate.
What is the InChIKey of tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate?
The InChIKey is UUKJBELODHPHIP-UHFFFAOYSA-N.
What is the Canonical SMILES representation of tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate?
The Canonical SMILES is CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC(=NC=C2)NC(=O)OC(C)(C)C.
What is the XLogP3-AA value of tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate?
The XLogP3-AA value is 3.5.
How many hydrogen bond donor counts does tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate have?
tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate has 1 hydrogen bond donor count.
What is the topological polar surface area of tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate?
The topological polar surface area is 106 Å2.
How many rotatable bond counts does tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate have?
tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate has 5 rotatable bond counts.
Is tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate considered canonicalized?
Yes, tert-Butyl 4-(2-methyl-4-nitrophenoxy)pyridin-2-ylcarbamate is considered canonicalized.
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