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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9ClO2
Molecular Weight 184.62
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chlorobenzyl acetate

SMILES

CC(=O)OCC1=CC=C(Cl)C=C1

InChI

InChIKey=MAGQINDMZBNWLG-UHFFFAOYSA-N
InChI=1S/C9H9ClO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H9ClO2
Molecular Weight 184.62
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 Sat Dec 16 12:22:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:49 GMT 2023
Record UNII
HD3YN6NR24
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Chlorobenzyl acetate
Systematic Name English
Benzenemethanol, 4-chloro-, 1-acetate
Systematic Name English
NSC-6987
Code English
4-Chlorobenzenemethanol acetate
Systematic Name English
(4-Chlorophenyl)methyl acetate
Systematic Name English
p-Chlorobenzyl acetate
Systematic Name English
Code System Code Type Description
PUBCHEM
79407
Created by admin on Sat Dec 16 12:22:49 GMT 2023 , Edited by admin on Sat Dec 16 12:22:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID80202383
Created by admin on Sat Dec 16 12:22:49 GMT 2023 , Edited by admin on Sat Dec 16 12:22:49 GMT 2023
PRIMARY
NSC
6987
Created by admin on Sat Dec 16 12:22:49 GMT 2023 , Edited by admin on Sat Dec 16 12:22:49 GMT 2023
PRIMARY
FDA UNII
HD3YN6NR24
Created by admin on Sat Dec 16 12:22:49 GMT 2023 , Edited by admin on Sat Dec 16 12:22:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-464-6
Created by admin on Sat Dec 16 12:22:49 GMT 2023 , Edited by admin on Sat Dec 16 12:22:49 GMT 2023
PRIMARY
CAS
5406-33-7
Created by admin on Sat Dec 16 12:22:49 GMT 2023 , Edited by admin on Sat Dec 16 12:22:49 GMT 2023
PRIMARY