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

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

CAS: 906673-45-8

Formula: C14H10BrNO2

SMILES: OCC1=C(Br)C=CC(OC2=CC=C(C=C2)C#N)=C1

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

InChI: InChI=1S/C14H10BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,17H,9H2

Composition: C (55.29%), H (3.31%), Br (26.27%), N (4.61%), O (10.52%)

Molar Mass: 304.143

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	302.989492
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DAMOSKSUIVLOJT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.46
Topological Polar Surface Area	53.25
Polarizability	27.7
Ring Count	2
Rotatable Bond Count	3

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