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

Details

Stereochemistry RACEMIC
Molecular Formula C10H19ClO2
Molecular Weight 206.71
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Octan-2-yl 2-chloroacetate

SMILES

CCCCCCC(C)OC(=O)CCl

InChI

InChIKey=IJDHTIMWHATBKH-UHFFFAOYSA-N
InChI=1S/C10H19ClO2/c1-3-4-5-6-7-9(2)13-10(12)8-11/h9H,3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H19ClO2
Molecular Weight 206.71
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 18:26:47 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:47 GMT 2023
Record UNII
3NP3W3Z5N8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Octan-2-yl 2-chloroacetate
Systematic Name English
NSC-404447
Code English
Acetic acid, 2-chloro-, 1-methylheptyl ester
Common Name English
2-Octyl chloroacetate
Systematic Name English
1-METHYLHEPTYL CHLOROACETATE
Systematic Name English
2-Octanol, chloroacetate
Systematic Name English
NSC-6018
Code English
Code System Code Type Description
FDA UNII
3NP3W3Z5N8
Created by admin on Sat Dec 16 18:26:47 GMT 2023 , Edited by admin on Sat Dec 16 18:26:47 GMT 2023
PRIMARY
PUBCHEM
89333
Created by admin on Sat Dec 16 18:26:47 GMT 2023 , Edited by admin on Sat Dec 16 18:26:47 GMT 2023
PRIMARY
CAS
20411-47-6
Created by admin on Sat Dec 16 18:26:47 GMT 2023 , Edited by admin on Sat Dec 16 18:26:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID801258684
Created by admin on Sat Dec 16 18:26:47 GMT 2023 , Edited by admin on Sat Dec 16 18:26:47 GMT 2023
PRIMARY
NSC
6018
Created by admin on Sat Dec 16 18:26:47 GMT 2023 , Edited by admin on Sat Dec 16 18:26:47 GMT 2023
PRIMARY
NSC
404447
Created by admin on Sat Dec 16 18:26:47 GMT 2023 , Edited by admin on Sat Dec 16 18:26:47 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE