4-[4-amino-3-(hydroxymethyl)phenoxy]benzonitrile

4-[4-amino-3-(hydroxymethyl)phenoxy]benzonitrile

Formula: C14H12N2O2

SMILES: NC1=C(CO)C=C(OC2=CC=C(C=C2)C#N)C=C1

IUPAC: 4-[4-amino-3-(hydroxymethyl)phenoxy]benzonitrile

InChI: InChI=1S/C14H12N2O2/c15-8-10-1-3-12(4-2-10)18-13-5-6-14(16)11(7-13)9-17/h1-7,17H,9,16H2

Composition: C (69.99%), H (5.03%), N (11.66%), O (13.32%)

Molar Mass: 240.262

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	240.089877634
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YBGVSXBJWCPCCF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.54
Topological Polar Surface Area	79.27
Polarizability	26.08
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H12N2O2		Quote Only