1-TERT-BUTYL-3-NITROBENZENE

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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 1-TERT-BUTYL-3-NITROBENZENE

Structure Search

SMILES

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

InChI

InChIKey=ZKRDQLBHUZNPGZ-UHFFFAOYSA-N

InChI=1S/C10H13NO2/c1-10(2,3)8-5-4-6-9(7-8)11(12)13/h4-7H,1-3H3

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 10:17:14 GMT 2025` Edited by `admin` on `Wed Apr 02 10:17:14 GMT 2025`
Record UNII	7KY7G84T4L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-TERT-BUTYL-3-NITROBENZENE

Systematic Name

English

1-(1,1-DIMETHYLETHYL)-3-NITROBENZENE

Preferred Name

English

1-(TERT-BUTYL)-3-NITROBENZENE

Systematic Name

English

BENZENE, 1-(1,1-DIMETHYLETHYL)-3-NITRO-

Systematic Name

English

Code System Code Type Description

FDA UNII

7KY7G84T4L

Created by admin on Wed Apr 02 10:17:14 GMT 2025 , Edited by admin on Wed Apr 02 10:17:14 GMT 2025

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ECHA (EC/EINECS)

245-443-2

Created by admin on Wed Apr 02 10:17:14 GMT 2025 , Edited by admin on Wed Apr 02 10:17:14 GMT 2025

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EPA CompTox

DTXSID90177699

Created by admin on Wed Apr 02 10:17:14 GMT 2025 , Edited by admin on Wed Apr 02 10:17:14 GMT 2025

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PUBCHEM

90005

Created by admin on Wed Apr 02 10:17:14 GMT 2025 , Edited by admin on Wed Apr 02 10:17:14 GMT 2025

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CAS

23132-52-7

Created by admin on Wed Apr 02 10:17:14 GMT 2025 , Edited by admin on Wed Apr 02 10:17:14 GMT 2025

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