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

Details

Stereochemistry RACEMIC
Molecular Formula C14H19ClO
Molecular Weight 238.753
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-TERT-BUTYL-2-(2-(4-CHLOROPHENYL)ETHYL)OXIRANE

SMILES

CC(C)(C)C2(CCC1=CC=C(Cl)C=C1)CO2

InChI

InChIKey=QLCGXXYDHCTVKP-UHFFFAOYSA-N
InChI=1S/C14H19ClO/c1-13(2,3)14(10-16-14)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C14H19ClO
Molecular Weight 238.753
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:12:45 GMT 2023
Edited
by admin
on Sat Dec 16 09:12:45 GMT 2023
Record UNII
XUC5FVS02C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-TERT-BUTYL-2-(2-(4-CHLOROPHENYL)ETHYL)OXIRANE
Systematic Name English
OXIRANE, 2-(2-(4-CHLOROPHENYL)ETHYL)-2-(1,1-DIMETHYLETHYL)-
Systematic Name English
2-(2-(4-CHLOROPHENYL)ETHYL)-2-(1,1-DIMETHYLETHYL)OXIRANE
Systematic Name English
Code System Code Type Description
FDA UNII
XUC5FVS02C
Created by admin on Sat Dec 16 09:12:45 GMT 2023 , Edited by admin on Sat Dec 16 09:12:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID5042247
Created by admin on Sat Dec 16 09:12:45 GMT 2023 , Edited by admin on Sat Dec 16 09:12:45 GMT 2023
PRIMARY
CAS
80443-63-6
Created by admin on Sat Dec 16 09:12:45 GMT 2023 , Edited by admin on Sat Dec 16 09:12:45 GMT 2023
PRIMARY
PUBCHEM
94684
Created by admin on Sat Dec 16 09:12:45 GMT 2023 , Edited by admin on Sat Dec 16 09:12:45 GMT 2023
PRIMARY