Catalog No.:AA003LDA

459-22-3 | 4-Fluorophenylacetonitrile

Name: Name:4-Fluorophenylacetonitrile
Brand: AABLOCKS
SKU: AA003LDA
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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA003LDA

Chemical Name:

4-Fluorophenylacetonitrile

CAS Number:

459-22-3

Molecular Formula:

C8H6FN

Molecular Weight:

135.1383

MDL Number:

MFCD00001917

SMILES:

N#CCc1ccc(cc1)F

NSC Number:

60739

Properties

BP:

234.2°C at 760 mmHg

Form:

Liquid

MP:

86°C

Refractive Index:

n20/D 1.5002(lit.)

Storage:

Inert atmosphere;Room Temperature;

Computed Properties

Complexity:

139

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

1.9

Literature

Title: 4-[5-Amino-4-(4-fluoro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzo-nitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20120401

Title: 4-(4-Fluoro-phen-yl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine.

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: 4-(4-Fluoro-phen-yl)-1-(4-nitro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine.

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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