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Details

Stereochemistry ACHIRAL
Molecular Formula C9H5ClO3
Molecular Weight 196.587
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Chlorocarbonylphthalide

SMILES

ClC(=O)C1=CC=C2C(=O)OCC2=C1

InChI

InChIKey=SSQVKKGZFIVXEX-UHFFFAOYSA-N
InChI=1S/C9H5ClO3/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-Chlorocarbonylphthalide
Common Name English
1,3-Dihydro-1-oxo-5-isobenzofurancarbonyl chloride
Preferred Name English
1-Oxo-1,3-dihydro-2-benzofuran-5-carbonyl chloride
Systematic Name English
5-Isobenzofurancarbonyl chloride, 1,3-dihydro-1-oxo-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00431158
Created by admin on Wed Apr 02 17:51:31 GMT 2025 , Edited by admin on Wed Apr 02 17:51:31 GMT 2025
PRIMARY
CAS
227954-90-7
Created by admin on Wed Apr 02 17:51:31 GMT 2025 , Edited by admin on Wed Apr 02 17:51:31 GMT 2025
PRIMARY
PUBCHEM
9815555
Created by admin on Wed Apr 02 17:51:31 GMT 2025 , Edited by admin on Wed Apr 02 17:51:31 GMT 2025
PRIMARY
FDA UNII
9AF4QE3D7T
Created by admin on Wed Apr 02 17:51:31 GMT 2025 , Edited by admin on Wed Apr 02 17:51:31 GMT 2025
PRIMARY
NIH
NCATS
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