3,5-Dinitrobenzotrifluoride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H3F3N2O4
Molecular Weight	236.1049
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5-Dinitrobenzotrifluoride

Structure Search

SMILES

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

InChI

InChIKey=QZADIXWDDVQVKM-UHFFFAOYSA-N

InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H

HIDE SMILES / InChI

Molecular Formula	C7H3F3N2O4
Molecular Weight	236.1049
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 13:18:38 GMT 2023` Edited by `admin` on `Sat Dec 16 13:18:38 GMT 2023`
Record UNII	DUR43C87YU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5-Dinitrobenzotrifluoride

Systematic Name

English

1,3-Dinitro-5-(trifluoromethyl)benzene

Systematic Name

English

Benzene, 1,3-dinitro-5-(trifluoromethyl)-

Systematic Name

English

α,α,α-Trifluoro-3,5-dinitrotoluene

Systematic Name

English

3,5-Dinitro-α,α,α-trifluorotoluene

Systematic Name

English

Code System Code Type Description

FDA UNII

DUR43C87YU

Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023

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CAS

401-99-0

Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023

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EPA CompTox

DTXSID40193142

Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023

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ECHA (EC/EINECS)

206-935-2

Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023

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PUBCHEM

123060

Created by admin on Sat Dec 16 13:18:39 GMT 2023 , Edited by admin on Sat Dec 16 13:18:39 GMT 2023

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