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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H10ClNO3
Molecular Weight 239.655
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-Chloro-2-hydroxypropyl)isoindoline-1,3-dione, (S)-

SMILES

O[C@H](CCl)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChIKey=KBRVYEPWGIQEOF-SSDOTTSWSA-N
InChI=1S/C11H10ClNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4,7,14H,5-6H2/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H10ClNO3
Molecular Weight 239.655
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:52:37 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:37 GMT 2023
Record UNII
F5WWW7SGG3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-Chloro-2-hydroxypropyl)isoindoline-1,3-dione, (S)-
Systematic Name English
2-[(2S)-3-Chloro-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione
Systematic Name English
(S)-2-(3-Chloro-2-hydroxypropyl)isoindoline-1,3-dione
Systematic Name English
2-[(2S)-3-Chloro-2-hydroxypropyl]-2,3-dihydro-1H-isoindole-1,3-dione
Systematic Name English
1H-Isoindole-1,3(2H)-dione, 2-[(2S)-3-chloro-2-hydroxypropyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
1070653
Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023
PRIMARY
CAS
148857-42-5
Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023
PRIMARY
FDA UNII
F5WWW7SGG3
Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023
PRIMARY