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Details

Stereochemistry ACHIRAL
Molecular Formula C10H19ClO2
Molecular Weight 206.71
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyl 6-chlorohexanoate

SMILES

CCCCOC(=O)CCCCCCl

InChI

InChIKey=ZWBAKKBXJFZDLB-UHFFFAOYSA-N
InChI=1S/C10H19ClO2/c1-2-3-9-13-10(12)7-5-4-6-8-11/h2-9H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H19ClO2
Molecular Weight 206.71
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 18:28:39 GMT 2023
Edited
by admin
on Sat Dec 16 18:28:39 GMT 2023
Record UNII
3ER8L2VEQ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butyl 6-chlorohexanoate
Systematic Name English
Hexanoic acid, 6-chloro-, butyl ester
Systematic Name English
Code System Code Type Description
CAS
71130-19-3
Created by admin on Sat Dec 16 18:28:39 GMT 2023 , Edited by admin on Sat Dec 16 18:28:39 GMT 2023
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FDA UNII
3ER8L2VEQ2
Created by admin on Sat Dec 16 18:28:39 GMT 2023 , Edited by admin on Sat Dec 16 18:28:39 GMT 2023
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EPA CompTox
DTXSID30991432
Created by admin on Sat Dec 16 18:28:39 GMT 2023 , Edited by admin on Sat Dec 16 18:28:39 GMT 2023
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PUBCHEM
3018075
Created by admin on Sat Dec 16 18:28:39 GMT 2023 , Edited by admin on Sat Dec 16 18:28:39 GMT 2023
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