4-Iodonitrobenzene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H4INO2
Molecular Weight	249.0059
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Iodonitrobenzene

Structure Search

SMILES

[O-][N+](=O)C1=CC=C(I)C=C1

InChI

InChIKey=SCCCFNJTCDSLCY-UHFFFAOYSA-N

InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

HIDE SMILES / InChI

Molecular Formula	C6H4INO2
Molecular Weight	249.0059
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 17:47:58 GMT 2025` Edited by `admin` on `Tue Apr 01 17:47:58 GMT 2025`
Record UNII	NH3N3MPW9D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Iodonitrobenzene

Systematic Name

English

NSC-9794

Preferred Name

English

1-Iodo-4-nitrobenzene

Systematic Name

English

Benzene, 1-iodo-4-nitro-

Systematic Name

English

4-Iodo-1-nitrobenzene

Systematic Name

English

1-Nitro-4-iodobenzene

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID7060914

Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025

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PUBCHEM

12495

Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025

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ECHA (EC/EINECS)

211-272-7

Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025

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CAS

636-98-6

Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025

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NSC

9794

Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025

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FDA UNII

NH3N3MPW9D

Created by admin on Tue Apr 01 17:47:58 GMT 2025 , Edited by admin on Tue Apr 01 17:47:58 GMT 2025

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