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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13BrClNO2
Molecular Weight 318.594
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(2-Bromo-4-chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone

SMILES

CC1(C)CON(CC2=C(Br)C=C(Cl)C=C2)C1=O

InChI

InChIKey=QYTLRSSSVHIPGB-UHFFFAOYSA-N
InChI=1S/C12H13BrClNO2/c1-12(2)7-17-15(11(12)16)6-8-3-4-9(14)5-10(8)13/h3-5H,6-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H13BrClNO2
Molecular Weight 318.594
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 19:56:38 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:38 GMT 2023
Record UNII
7E74L5U9WL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(2-Bromo-4-chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone
Systematic Name English
3-Isoxazolidinone, 2-[(2-bromo-4-chlorophenyl)methyl]-4,4-dimethyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
167713323
Created by admin on Sat Dec 16 19:56:38 GMT 2023 , Edited by admin on Sat Dec 16 19:56:38 GMT 2023
PRIMARY
CAS
2766607-82-1
Created by admin on Sat Dec 16 19:56:38 GMT 2023 , Edited by admin on Sat Dec 16 19:56:38 GMT 2023
PRIMARY
FDA UNII
7E74L5U9WL
Created by admin on Sat Dec 16 19:56:38 GMT 2023 , Edited by admin on Sat Dec 16 19:56:38 GMT 2023
PRIMARY