4-Methoxy-3-nitrobenzotrifluoride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6F3NO3
Molecular Weight	221.1333
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Methoxy-3-nitrobenzotrifluoride

Structure Search

SMILES

COC1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O

InChI

InChIKey=MAAFHLOZHBKYTG-UHFFFAOYSA-N

InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H6F3NO3
Molecular Weight	221.1333
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 19:10:11 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:11 GMT 2025`
Record UNII	95RJH7SBS7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Methoxy-3-nitrobenzotrifluoride

Systematic Name

English

2-Nitro-4-trifluoromethylanisole

Preferred Name

English

1-Methoxy-2-nitro-4-(trifluoromethyl)benzene

Systematic Name

English

Benzene, 1-methoxy-2-nitro-4-(trifluoromethyl)-

Systematic Name

English

Anisole, 2-nitro-4-(trifluoromethyl)-

Systematic Name

English

2-Nitro-4-(trifluoromethyl)anisole

Systematic Name

English

NSC-88325

Code

English

Code System Code Type Description

CAS

394-25-2

Created by admin on Tue Apr 01 19:10:11 GMT 2025 , Edited by admin on Tue Apr 01 19:10:11 GMT 2025

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NSC

88325

Created by admin on Tue Apr 01 19:10:11 GMT 2025 , Edited by admin on Tue Apr 01 19:10:11 GMT 2025

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FDA UNII

95RJH7SBS7

Created by admin on Tue Apr 01 19:10:11 GMT 2025 , Edited by admin on Tue Apr 01 19:10:11 GMT 2025

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PUBCHEM

96748

Created by admin on Tue Apr 01 19:10:11 GMT 2025 , Edited by admin on Tue Apr 01 19:10:11 GMT 2025

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EPA CompTox

DTXSID10192586

Created by admin on Tue Apr 01 19:10:11 GMT 2025 , Edited by admin on Tue Apr 01 19:10:11 GMT 2025

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ECHA (EC/EINECS)

206-891-4

Created by admin on Tue Apr 01 19:10:11 GMT 2025 , Edited by admin on Tue Apr 01 19:10:11 GMT 2025

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