P-FLUOROBENZOYLACETONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6FNO
Molecular Weight	163.1484
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of P-FLUOROBENZOYLACETONITRILE

Structure Search

SMILES

FC1=CC=C(C=C1)C(=O)CC#N

InChI

InChIKey=LOJBBLDAJBJVBZ-UHFFFAOYSA-N

InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula	C9H6FNO
Molecular Weight	163.1484
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Syntheses and properties of the major hydroxy metabolites in humans of blonanserin AD-5423, a novel antipsychotic agent.	2005-02-15	15686911

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:34:43 GMT 2025` Edited by `admin` on `Mon Mar 31 17:34:43 GMT 2025`
Record UNII	K1LTB8K2DH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-CYANO-4-FLUOROACETOPHENONE

Preferred Name

English

P-FLUOROBENZOYLACETONITRILE

Common Name

English

4-FLUOROBENZOYLACETONITRILE

Systematic Name

English

3-OXO-3-(4-FLUOROPHENYL)PROPANENITRILE

Systematic Name

English

3-(4-FLUOROPHENYL)-3-OXOPROPIONITRILE

Systematic Name

English

ACETONITRILE, (P-FLUOROBENZOYL)-

Systematic Name

English

BENZENEPROPANENITRILE, 4-FLUORO-.BETA.-OXO-

Systematic Name

English

3-(4-FLUOROPHENYL)-3-OXOPROPANENITRILE

Systematic Name

English

Code System Code Type Description

FDA UNII

K1LTB8K2DH

Created by admin on Mon Mar 31 17:34:43 GMT 2025 , Edited by admin on Mon Mar 31 17:34:43 GMT 2025

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EPA CompTox

DTXSID30382482

Created by admin on Mon Mar 31 17:34:43 GMT 2025 , Edited by admin on Mon Mar 31 17:34:43 GMT 2025

PRIMARY

PUBCHEM

2783172

Created by admin on Mon Mar 31 17:34:43 GMT 2025 , Edited by admin on Mon Mar 31 17:34:43 GMT 2025

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CAS

4640-67-9

Created by admin on Mon Mar 31 17:34:43 GMT 2025 , Edited by admin on Mon Mar 31 17:34:43 GMT 2025

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