3,6-Dimethyl-2,4-dinitrophenol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8N2O5
Molecular Weight	212.1595
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,6-Dimethyl-2,4-dinitrophenol

Structure Search

SMILES

CC1=CC(=C(C)C(=C1O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=RROXWBBJMPCPHD-UHFFFAOYSA-N

InChI=1S/C8H8N2O5/c1-4-3-6(9(12)13)5(2)7(8(4)11)10(14)15/h3,11H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C8H8N2O5
Molecular Weight	212.1595
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 `Sat Dec 16 12:42:36 GMT 2023` Edited by `admin` on `Sat Dec 16 12:42:36 GMT 2023`
Record UNII	Z8BXZ6H5AG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,6-Dimethyl-2,4-dinitrophenol

Systematic Name

English

Phenol, 3,6-dimethyl-2,4-dinitro-

Systematic Name

English

NSC-78803

Code

English

2,5-Xylenol, 4,6-dinitro-

Systematic Name

English

Code System Code Type Description

PUBCHEM

96534

Created by admin on Sat Dec 16 12:42:36 GMT 2023 , Edited by admin on Sat Dec 16 12:42:36 GMT 2023

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NSC

78803

Created by admin on Sat Dec 16 12:42:36 GMT 2023 , Edited by admin on Sat Dec 16 12:42:36 GMT 2023

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FDA UNII

Z8BXZ6H5AG

Created by admin on Sat Dec 16 12:42:36 GMT 2023 , Edited by admin on Sat Dec 16 12:42:36 GMT 2023

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CAS

15968-56-6

Created by admin on Sat Dec 16 12:42:36 GMT 2023 , Edited by admin on Sat Dec 16 12:42:36 GMT 2023

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EPA CompTox

DTXSID30166709

Created by admin on Sat Dec 16 12:42:36 GMT 2023 , Edited by admin on Sat Dec 16 12:42:36 GMT 2023

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