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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7ClO3
Molecular Weight 198.603
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Acetoxybenzoyl chloride

SMILES

CC(=O)OC1=C(C=CC=C1)C(Cl)=O

InChI

InChIKey=DSGKWFGEUBCEIE-UHFFFAOYSA-N
InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C9H7ClO3
Molecular Weight 198.603
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 12:23:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:23:47 GMT 2023
Record UNII
67R3L2L9J7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Acetoxybenzoyl chloride
Systematic Name English
(2-carbonochloridoylphenyl) acetate
Systematic Name English
NSC-97216
Code English
Benzoyl chloride, 2-(acetyloxy)-
Systematic Name English
2-(Acetyloxy)benzoyl chloride
Systematic Name English
Code System Code Type Description
FDA UNII
67R3L2L9J7
Created by admin on Sat Dec 16 12:23:47 GMT 2023 , Edited by admin on Sat Dec 16 12:23:47 GMT 2023
PRIMARY
PUBCHEM
79668
Created by admin on Sat Dec 16 12:23:47 GMT 2023 , Edited by admin on Sat Dec 16 12:23:47 GMT 2023
PRIMARY
CAS
5538-51-2
Created by admin on Sat Dec 16 12:23:47 GMT 2023 , Edited by admin on Sat Dec 16 12:23:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-899-1
Created by admin on Sat Dec 16 12:23:47 GMT 2023 , Edited by admin on Sat Dec 16 12:23:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID10203924
Created by admin on Sat Dec 16 12:23:47 GMT 2023 , Edited by admin on Sat Dec 16 12:23:47 GMT 2023
PRIMARY
NSC
97216
Created by admin on Sat Dec 16 12:23:47 GMT 2023 , Edited by admin on Sat Dec 16 12:23:47 GMT 2023
PRIMARY