5-Nitro-1,3-benzodioxole

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5NO4
Molecular Weight	167.1189
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Nitro-1,3-benzodioxole

Structure Search

SMILES

[O-][N+](=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=SNWQAKNKGGOVMO-UHFFFAOYSA-N

InChI=1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2

HIDE SMILES / InChI

Molecular Formula	C7H5NO4
Molecular Weight	167.1189
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 19:20:56 GMT 2025` Edited by `admin` on `Tue Apr 01 19:20:56 GMT 2025`
Record UNII	8934AS6CY6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Nitro-1,3-benzodioxole

Systematic Name

English

NSC-5562

Preferred Name

English

1,3-Benzodioxole, 5-nitro-

Systematic Name

English

1,2-(Methylenedioxy)-4-nitrobenzene

Systematic Name

English

3,4-(Methylenedioxy)-1-nitrobenzene

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

220-055-6

Created by admin on Tue Apr 01 19:20:56 GMT 2025 , Edited by admin on Tue Apr 01 19:20:56 GMT 2025

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PUBCHEM

75798

Created by admin on Tue Apr 01 19:20:56 GMT 2025 , Edited by admin on Tue Apr 01 19:20:56 GMT 2025

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CAS

2620-44-2

Created by admin on Tue Apr 01 19:20:56 GMT 2025 , Edited by admin on Tue Apr 01 19:20:56 GMT 2025

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FDA UNII

8934AS6CY6

Created by admin on Tue Apr 01 19:20:56 GMT 2025 , Edited by admin on Tue Apr 01 19:20:56 GMT 2025

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NSC

5562

Created by admin on Tue Apr 01 19:20:56 GMT 2025 , Edited by admin on Tue Apr 01 19:20:56 GMT 2025

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EPA CompTox

DTXSID5062558

Created by admin on Tue Apr 01 19:20:56 GMT 2025 , Edited by admin on Tue Apr 01 19:20:56 GMT 2025

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