PHENYL 4-BROMOBENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H9BrO2
Molecular Weight	277.113
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHENYL 4-BROMOBENZOATE

Structure Search

SMILES

BrC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

InChI

InChIKey=GKOPHSXEQSIHQE-UHFFFAOYSA-N

InChI=1S/C13H9BrO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9H

HIDE SMILES / InChI

Molecular Formula	C13H9BrO2
Molecular Weight	277.113
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 `Mon Mar 31 21:23:33 GMT 2025` Edited by `admin` on `Mon Mar 31 21:23:33 GMT 2025`
Record UNII	76ROC0290F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-BROMOBENZOIC ACID PHENYL ESTER [MI]

Preferred Name

English

PHENYL 4-BROMOBENZOATE

Systematic Name

English

BENZOIC ACID, P-BROMO-, PHENYL ESTER

Common Name

English

BENZOIC ACID, 4-BROMO-, PHENYL ESTER

Common Name

English

PHENYL P-BROMOBENZOATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40206706

Created by admin on Mon Mar 31 21:23:33 GMT 2025 , Edited by admin on Mon Mar 31 21:23:33 GMT 2025

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PUBCHEM

530840

Created by admin on Mon Mar 31 21:23:33 GMT 2025 , Edited by admin on Mon Mar 31 21:23:33 GMT 2025

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MERCK INDEX

m2685

Created by admin on Mon Mar 31 21:23:33 GMT 2025 , Edited by admin on Mon Mar 31 21:23:33 GMT 2025

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Merck Index

CAS

5798-76-5

Created by admin on Mon Mar 31 21:23:33 GMT 2025 , Edited by admin on Mon Mar 31 21:23:33 GMT 2025

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FDA UNII

76ROC0290F

Created by admin on Mon Mar 31 21:23:33 GMT 2025 , Edited by admin on Mon Mar 31 21:23:33 GMT 2025

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