U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow 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

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

Approval Year

Name Type Language
5-(2-Bromoacetyl)-1,3-phenylene diacetate
Systematic Name English
1-[3,5-Bis(acetyloxy)phenyl]-2-bromoethanone
Systematic 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 Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023
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CAS
36763-39-0
Created by admin on Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023
PRIMARY
PUBCHEM
18707319
Created by admin on Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023
PRIMARY
FDA UNII
2WL393L9E6
Created by admin on Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-193-0
Created by admin on Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023
PRIMARY