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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H11Cl3O3
Molecular Weight 297.562
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYL 2,4,5-TRICHLOROPHENYL CARBONATE

SMILES

CC(C)(C)OC(=O)OC1=CC(Cl)=C(Cl)C=C1Cl

InChI

InChIKey=LJFPGBIHDPZHIN-UHFFFAOYSA-N
InChI=1S/C11H11Cl3O3/c1-11(2,3)17-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H11Cl3O3
Molecular Weight 297.562
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 12:11:12 GMT 2023
Edited
by admin
on Sat Dec 16 12:11:12 GMT 2023
Record UNII
H3JB4NV3SV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TERT-BUTYL 2,4,5-TRICHLOROPHENYL CARBONATE
Systematic Name English
1,1-DIMETHYLETHYL 2,4,5-TRICHLOROPHENYL CARBONATE
Systematic Name English
CARBONIC ACID, TERT-BUTYL 2,4,5-TRICHLOROPHENYL ESTER
Systematic Name English
CARBONIC ACID, 1,1-DIMETHYLETHYL 2,4,5-TRICHLOROPHENYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
86887
Created by admin on Sat Dec 16 12:11:12 GMT 2023 , Edited by admin on Sat Dec 16 12:11:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID7066140
Created by admin on Sat Dec 16 12:11:12 GMT 2023 , Edited by admin on Sat Dec 16 12:11:12 GMT 2023
PRIMARY
FDA UNII
H3JB4NV3SV
Created by admin on Sat Dec 16 12:11:12 GMT 2023 , Edited by admin on Sat Dec 16 12:11:12 GMT 2023
PRIMARY
CAS
16965-08-5
Created by admin on Sat Dec 16 12:11:12 GMT 2023 , Edited by admin on Sat Dec 16 12:11:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-039-5
Created by admin on Sat Dec 16 12:11:12 GMT 2023 , Edited by admin on Sat Dec 16 12:11:12 GMT 2023
PRIMARY