4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile

CAS: 1004701-68-1

Formula: C13H12N2O2

SMILES: CC1=C(COC2=CC=C(C=C2)C#N)C(C)=NO1

IUPAC: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzonitrile

InChI: InChI=1S/C13H12N2O2/c1-9-13(10(2)17-15-9)8-16-12-5-3-11(7-14)4-6-12/h3-6H,8H2,1-2H3

Composition: C (68.41%), H (5.30%), N (12.27%), O (14.02%)

Molar Mass: 228.251

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	228.089877634
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DUDHHHURVHNGEG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.04
Topological Polar Surface Area	59.05
Polarizability	23.78
Ring Count	2
Rotatable Bond Count	3

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1004701-68-1		$269.51$269.51