4-TERT-BUTYL-2,6-DINITROPHENOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12N2O5
Molecular Weight	240.2127
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-TERT-BUTYL-2,6-DINITROPHENOL

Structure Search

SMILES

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

InChI

InChIKey=NJBDTWSOYUZQPM-UHFFFAOYSA-N

InChI=1S/C10H12N2O5/c1-10(2,3)6-4-7(11(14)15)9(13)8(5-6)12(16)17/h4-5,13H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C10H12N2O5
Molecular Weight	240.2127
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 19:18:00 GMT 2025` Edited by `admin` on `Tue Apr 01 19:18:00 GMT 2025`
Record UNII	M5S512RL03
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-21491

Preferred Name

English

4-TERT-BUTYL-2,6-DINITROPHENOL

Systematic Name

English

Code System Code Type Description

NSC

21491

Created by admin on Tue Apr 01 19:18:00 GMT 2025 , Edited by admin on Tue Apr 01 19:18:00 GMT 2025

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ECHA (EC/EINECS)

223-856-9

Created by admin on Tue Apr 01 19:18:00 GMT 2025 , Edited by admin on Tue Apr 01 19:18:00 GMT 2025

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PUBCHEM

20042

Created by admin on Tue Apr 01 19:18:00 GMT 2025 , Edited by admin on Tue Apr 01 19:18:00 GMT 2025

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FDA UNII

M5S512RL03

Created by admin on Tue Apr 01 19:18:00 GMT 2025 , Edited by admin on Tue Apr 01 19:18:00 GMT 2025

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CAS

4097-49-8

Created by admin on Tue Apr 01 19:18:00 GMT 2025 , Edited by admin on Tue Apr 01 19:18:00 GMT 2025

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EPA CompTox

DTXSID50193971

Created by admin on Tue Apr 01 19:18:00 GMT 2025 , Edited by admin on Tue Apr 01 19:18:00 GMT 2025

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