5-(2-Bromoacetyl)-1,3-phenylene diacetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H11BrO5
Molecular Weight	315.117
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(2-Bromoacetyl)-1,3-phenylene diacetate

Structure Search

SMILES

CC(=O)OC1=CC(=CC(OC(C)=O)=C1)C(=O)CBr

InChI

InChIKey=GXTZIQJXSCEEMV-UHFFFAOYSA-N

InChI=1S/C12H11BrO5/c1-7(14)17-10-3-9(12(16)6-13)4-11(5-10)18-8(2)15/h3-5H,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H11BrO5
Molecular Weight	315.117
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 19:37:55 GMT 2025` Edited by `admin` on `Tue Apr 01 19:37:55 GMT 2025`
Record UNII	2WL393L9E6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-(2-Bromoacetyl)-1,3-phenylene diacetate

Systematic Name

English

1-[3,5-Bis(acetyloxy)phenyl]-2-bromoethanone

Preferred Name

English

Ethanone, 1-[3,5-bis(acetyloxy)phenyl]-2-bromo-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50190228

Created by admin on Tue Apr 01 19:37:55 GMT 2025 , Edited by admin on Tue Apr 01 19:37:55 GMT 2025

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CAS

36763-39-0

Created by admin on Tue Apr 01 19:37:55 GMT 2025 , Edited by admin on Tue Apr 01 19:37:55 GMT 2025

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PUBCHEM

18707319

Created by admin on Tue Apr 01 19:37:55 GMT 2025 , Edited by admin on Tue Apr 01 19:37:55 GMT 2025

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FDA UNII

2WL393L9E6

Created by admin on Tue Apr 01 19:37:55 GMT 2025 , Edited by admin on Tue Apr 01 19:37:55 GMT 2025

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ECHA (EC/EINECS)

253-193-0

Created by admin on Tue Apr 01 19:37:55 GMT 2025 , Edited by admin on Tue Apr 01 19:37:55 GMT 2025

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