Catalog No.:AA002P4D

247206-80-0 | 3-Iodobenzoylacetonitrile

Name: Name:3-Iodobenzoylacetonitrile
Brand: AABLOCKS
SKU: AA002P4D
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250mg

≥ 97%

in stock

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≥ 97%

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≥ 97%

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA002P4D

Chemical Name:

3-Iodobenzoylacetonitrile

CAS Number:

247206-80-0

Molecular Formula:

C9H6INO

Molecular Weight:

271.0545

MDL Number:

MFCD04114350

SMILES:

N#CCC(=O)c1cccc(c1)I

Properties

BP:

391.2°C at 760 mmHg

Form:

Solid

MP:

>113°C (dec.)

Storage:

Room Temperature;

Computed Properties

Complexity:

218

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

2.1

Downstream Synthesis Route

247206-80-0

502132-87-8

[1]Locationinpatent:schemeortableKim,Ikyon;Song,JongHwan;Park,ChangMin;Jeong,JoonWon;Kim,HyungRae;Ha,JinRyul;No,Zaesung;Hyun,Young-Lan;Cho,YoungSik;SookKang,Nam;Jeon,DongJu[BioorganicandMedicinalChemistryLetters,2010,vol.20,#3,p.922-926]

Literature

Title: De novo parallel design, synthesis and evaluation of inhibitors against the reverse transcriptase of human immunodeficiency virus type-1 and drug-resistant variants.

Journal: Journal of medicinal chemistry 20070517

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SDS