3,5-Bis(trifluoromethyl)phenylacetonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H5F6N
Molecular Weight	253.1438
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5-Bis(trifluoromethyl)phenylacetonitrile

Structure Search

SMILES

FC(F)(F)C1=CC(=CC(CC#N)=C1)C(F)(F)F

InChI

InChIKey=YXGWYBUKRTYHJM-UHFFFAOYSA-N

InChI=1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2

HIDE SMILES / InChI

Molecular Formula	C10H5F6N
Molecular Weight	253.1438
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 20:23:18 GMT 2023` Edited by `admin` on `Sat Dec 16 20:23:18 GMT 2023`
Record UNII	2NSE3RU6PE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5-Bis(trifluoromethyl)phenylacetonitrile

Systematic Name

English

[3,5-Bis(trifluoromethyl)phenyl]acetonitrile

Systematic Name

English

Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-

Systematic Name

English

3,5-Bis(trifluoromethyl)benzeneacetonitrile

Systematic Name

English

Code System Code Type Description

FDA UNII

2NSE3RU6PE

Created by admin on Sat Dec 16 20:23:18 GMT 2023 , Edited by admin on Sat Dec 16 20:23:18 GMT 2023

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ECHA (EC/EINECS)

285-294-0

Created by admin on Sat Dec 16 20:23:18 GMT 2023 , Edited by admin on Sat Dec 16 20:23:18 GMT 2023

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CAS

85068-32-2

Created by admin on Sat Dec 16 20:23:18 GMT 2023 , Edited by admin on Sat Dec 16 20:23:18 GMT 2023

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PUBCHEM

603657

Created by admin on Sat Dec 16 20:23:18 GMT 2023 , Edited by admin on Sat Dec 16 20:23:18 GMT 2023

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EPA CompTox

DTXSID50234136

Created by admin on Sat Dec 16 20:23:18 GMT 2023 , Edited by admin on Sat Dec 16 20:23:18 GMT 2023

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