4-FLUOROPHENYL 4-CHLOROBENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H8ClFO2
Molecular Weight	250.653
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-FLUOROPHENYL 4-CHLOROBENZOATE

Structure Search

SMILES

FC1=CC=C(OC(=O)C2=CC=C(Cl)C=C2)C=C1

InChI

InChIKey=QFOOQWZABMLXPS-UHFFFAOYSA-N

InChI=1S/C13H8ClFO2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H

HIDE SMILES / InChI

Molecular Formula	C13H8ClFO2
Molecular Weight	250.653
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 19:26:37 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:37 GMT 2025`
Record UNII	MTG3YT98HN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOIC ACID, 4-CHLORO-, 4-FLUOROPHENYL ESTER

Preferred Name

English

4-FLUOROPHENYL 4-CHLOROBENZOATE

Systematic Name

English

Code System Code Type Description

CAS

29558-88-1

Created by admin on Tue Apr 01 19:26:37 GMT 2025 , Edited by admin on Tue Apr 01 19:26:37 GMT 2025

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EPA CompTox

DTXSID00183741

Created by admin on Tue Apr 01 19:26:37 GMT 2025 , Edited by admin on Tue Apr 01 19:26:37 GMT 2025

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ECHA (EC/EINECS)

249-695-4

Created by admin on Tue Apr 01 19:26:37 GMT 2025 , Edited by admin on Tue Apr 01 19:26:37 GMT 2025

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PUBCHEM

122508

Created by admin on Tue Apr 01 19:26:37 GMT 2025 , Edited by admin on Tue Apr 01 19:26:37 GMT 2025

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FDA UNII

MTG3YT98HN

Created by admin on Tue Apr 01 19:26:37 GMT 2025 , Edited by admin on Tue Apr 01 19:26:37 GMT 2025

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