4-(Acetyloxy)-3,5-diiodobenzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H5I2NO2
Molecular Weight	412.9504
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(Acetyloxy)-3,5-diiodobenzonitrile

Structure Search

SMILES

CC(=O)OC1=C(I)C=C(C=C1I)C#N

InChI

InChIKey=IXJCNATXMBKYKO-UHFFFAOYSA-N

InChI=1S/C9H5I2NO2/c1-5(13)14-9-7(10)2-6(4-12)3-8(9)11/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula	C9H5I2NO2
Molecular Weight	412.9504
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:46:07 GMT 2025` Edited by `admin` on `Tue Apr 01 17:46:07 GMT 2025`
Record UNII	ZQ3MA7M32M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

?-Cyano-4-hydroxy-3,5-diiodobenzyl acetate

Preferred Name

English

4-(Acetyloxy)-3,5-diiodobenzonitrile

Systematic Name

English

3,5-Diiodo-4-hydroxybenzonitrile acetate

Systematic Name

English

Benzonitrile, 4-(acetyloxy)-3,5-diiodo-

Systematic Name

English

Benzonitrile, 4-hydroxy-3,5-diiodo-, acetate

Systematic Name

English

Code System Code Type Description

PUBCHEM

74320

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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FDA UNII

ZQ3MA7M32M

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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CAS

1689-85-6

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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ECHA (EC/EINECS)

216-883-2

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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EPA CompTox

DTXSID70168621

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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