2-Methyl-1-nitro-3-(trifluoromethyl)benzene

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Methyl-1-nitro-3-(trifluoromethyl)benzene

Structure Search

SMILES

CC1=C(C=CC=C1[N+]([O-])=O)C(F)(F)F

InChI

InChIKey=KQUQBPVYIURTNZ-UHFFFAOYSA-N

InChI=1S/C8H6F3NO2/c1-5-6(8(9,10)11)3-2-4-7(5)12(13)14/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
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 19:31:48 GMT 2025` Edited by `admin` on `Tue Apr 01 19:31:48 GMT 2025`
Record UNII	ZUF5GC6GJA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Methyl-1-nitro-3-(trifluoromethyl)benzene

Systematic Name

English

?,?,?-Trifluoro-3-nitro-o-xylene

Preferred Name

English

Benzene, 2-methyl-1-nitro-3-(trifluoromethyl)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60216741

Created by admin on Tue Apr 01 19:31:48 GMT 2025 , Edited by admin on Tue Apr 01 19:31:48 GMT 2025

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ECHA (EC/EINECS)

229-688-2

Created by admin on Tue Apr 01 19:31:48 GMT 2025 , Edited by admin on Tue Apr 01 19:31:48 GMT 2025

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PUBCHEM

81171

Created by admin on Tue Apr 01 19:31:48 GMT 2025 , Edited by admin on Tue Apr 01 19:31:48 GMT 2025

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CAS

6656-49-1

Created by admin on Tue Apr 01 19:31:48 GMT 2025 , Edited by admin on Tue Apr 01 19:31:48 GMT 2025

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FDA UNII

ZUF5GC6GJA

Created by admin on Tue Apr 01 19:31:48 GMT 2025 , Edited by admin on Tue Apr 01 19:31:48 GMT 2025

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