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Details

Stereochemistry MIXED
Molecular Formula C12H21ClO2
Molecular Weight 232.747
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEC-BUTYL 5-CHLORO-2-METHYLCYCLOHEXANECARBOXYLATE

SMILES

CCC(C)OC(=O)C1CC(Cl)CCC1C

InChI

InChIKey=JRRZGLONQJCBTE-UHFFFAOYSA-N
InChI=1S/C12H21ClO2/c1-4-9(3)15-12(14)11-7-10(13)6-5-8(11)2/h8-11H,4-7H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
SEC-BUTYL 5-CHLORO-2-METHYLCYCLOHEXANECARBOXYLATE
Systematic Name English
CYCLOHEXANECARBOXYLIC ACID, 5-CHLORO-2-METHYL-, 1-METHYLPROPYL ESTER
Preferred Name English
Code System Code Type Description
CAS
111790-66-0
Created by admin on Mon Mar 31 22:41:35 GMT 2025 , Edited by admin on Mon Mar 31 22:41:35 GMT 2025
PRIMARY
PUBCHEM
13937095
Created by admin on Mon Mar 31 22:41:35 GMT 2025 , Edited by admin on Mon Mar 31 22:41:35 GMT 2025
PRIMARY
FDA UNII
NT800064B9
Created by admin on Mon Mar 31 22:41:35 GMT 2025 , Edited by admin on Mon Mar 31 22:41:35 GMT 2025
PRIMARY
NIH
NCATS
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