4-ISOBUTYLNITROBENZENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-ISOBUTYLNITROBENZENE

Structure Search

SMILES

CC(C)CC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=DCYMLRJKFWGXEC-UHFFFAOYSA-N

InChI=1S/C10H13NO2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H13NO2
Molecular Weight	179.2157
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 `Wed Apr 02 12:48:22 GMT 2025` Edited by `admin` on `Wed Apr 02 12:48:22 GMT 2025`
Record UNII	P64U4AK7EC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-ISOBUTYLNITROBENZENE

Systematic Name

English

1-ISOBUTYL-4-NITROBENZENE

Preferred Name

English

4-NITROISOBUTYLBENZENE

Systematic Name

English

P-ISOBUTYLNITROBENZENE

Systematic Name

English

Code System Code Type Description

PUBCHEM

82560

Created by admin on Wed Apr 02 12:48:22 GMT 2025 , Edited by admin on Wed Apr 02 12:48:22 GMT 2025

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EPA CompTox

DTXSID00145829

Created by admin on Wed Apr 02 12:48:22 GMT 2025 , Edited by admin on Wed Apr 02 12:48:22 GMT 2025

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ECHA (EC/EINECS)

233-744-1

Created by admin on Wed Apr 02 12:48:22 GMT 2025 , Edited by admin on Wed Apr 02 12:48:22 GMT 2025

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FDA UNII

P64U4AK7EC

Created by admin on Wed Apr 02 12:48:22 GMT 2025 , Edited by admin on Wed Apr 02 12:48:22 GMT 2025

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CAS

10342-60-6

Created by admin on Wed Apr 02 12:48:22 GMT 2025 , Edited by admin on Wed Apr 02 12:48:22 GMT 2025

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