2-(2H-1,3-benzodioxol-5-yl)-3-[3-(pyrimidin-2-yloxy)phenyl]prop-2-enenitrile

2-(2H-1,3-benzodioxol-5-yl)-3-[3-(pyrimidin-2-yloxy)phenyl]prop-2-enenitrile

CAS: 861210-06-2

Formula: C20H13N3O3

SMILES: N#CC(=CC1=CC(OC2=NC=CC=N2)=CC=C1)C1=CC2=C(OCO2)C=C1

IUPAC: 2-(2H-1,3-benzodioxol-5-yl)-3-[3-(pyrimidin-2-yloxy)phenyl]prop-2-enenitrile

InChI: InChI=1S/C20H13N3O3/c21-12-16(15-5-6-18-19(11-15)25-13-24-18)9-14-3-1-4-17(10-14)26-20-22-7-2-8-23-20/h1-11H,13H2

Composition: C (69.97%), H (3.82%), N (12.24%), O (13.98%)

Molar Mass: 343.342

Atom Count: 39

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	343.095691291
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	VPPJSXYPRHMRRY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.11
Topological Polar Surface Area	77.26
Polarizability	36.04
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	861210-06-2		$51.35-$524.40$51.35$63.37$86.31$524.40