2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H8F3NO2S
Molecular Weight	299.268
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene

Structure Search

SMILES

[O-][N+](=O)C1=C(SC2=CC=CC=C2)C=CC(=C1)C(F)(F)F

InChI

InChIKey=UBCNQWMQLBEUOC-UHFFFAOYSA-N

InChI=1S/C13H8F3NO2S/c14-13(15,16)9-6-7-12(11(8-9)17(18)19)20-10-4-2-1-3-5-10/h1-8H

HIDE SMILES / InChI

Molecular Formula	C13H8F3NO2S
Molecular Weight	299.268
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 20:01:33 GMT 2023` Edited by `admin` on `Sat Dec 16 20:01:33 GMT 2023`
Record UNII	D8LSM6QB2T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Nitro-1-(phenylthio)-4-(trifluoromethyl)benzene

Systematic Name

English

α,α,α-Trifluoro-3-nitro-4-(phenylthio)toluene

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

67667

Created by admin on Sat Dec 16 20:01:33 GMT 2023 , Edited by admin on Sat Dec 16 20:01:33 GMT 2023

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EPA CompTox

DTXSID70188167

Created by admin on Sat Dec 16 20:01:33 GMT 2023 , Edited by admin on Sat Dec 16 20:01:33 GMT 2023

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FDA UNII

D8LSM6QB2T

Created by admin on Sat Dec 16 20:01:33 GMT 2023 , Edited by admin on Sat Dec 16 20:01:33 GMT 2023

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CAS

346-44-1

Created by admin on Sat Dec 16 20:01:33 GMT 2023 , Edited by admin on Sat Dec 16 20:01:33 GMT 2023

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ECHA (EC/EINECS)

206-470-5

Created by admin on Sat Dec 16 20:01:33 GMT 2023 , Edited by admin on Sat Dec 16 20:01:33 GMT 2023

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