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

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

Formula: C14H13ClN2O2

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

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

InChI: InChI=1S/C14H12N2O2.ClH/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;1H

Composition: C (60.77%), H (4.74%), Cl (12.81%), N (10.12%), O (11.56%)

Molar Mass: 276.72

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 276.0665554
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QRDGBFIQWNWESP-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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98% <10 Days C14H13ClN2O2 Quote Only
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