2-(tert-butoxy)pyrimidine-4-carbonitrile

2-(tert-butoxy)pyrimidine-4-carbonitrile

CAS: 1699283-89-0

Formula: C9H11N3O

SMILES: CC(C)(C)OC1=NC=CC(=N1)C#N

IUPAC: 2-(tert-butoxy)pyrimidine-4-carbonitrile

InChI: InChI=1S/C9H11N3O/c1-9(2,3)13-8-11-5-4-7(6-10)12-8/h4-5H,1-3H3

Composition: C (61.00%), H (6.26%), N (23.71%), O (9.03%)

Molar Mass: 177.207

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	177.090211986
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XHFXRSJENCFSGD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.29
Topological Polar Surface Area	58.8
Polarizability	18.44
Ring Count	1
Rotatable Bond Count	2

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96%	<2 Days	1699283-89-0		$342.70-$5,612.00$342.70$457.70$687.70$977.50$1,587.00$5,612.00