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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9ClO2
Molecular Weight 136.577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTANOIC ACID, 4-CHLORO-, METHYL ESTER

SMILES

COC(=O)CCCCl

InChI

InChIKey=ZZUYIRISBMWFMV-UHFFFAOYSA-N
InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C5H9ClO2
Molecular Weight 136.577
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 Wed Apr 02 18:39:49 GMT 2025
Edited
by admin
on Wed Apr 02 18:39:49 GMT 2025
Record UNII
RKL29JT5L9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTANOIC ACID, 4-CHLORO-, METHYL ESTER
Common Name English
NSC-66271
Preferred Name English
Methyl 4-chlorobutanoate
Systematic Name English
?-Chlorobutyric acid methyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7062873
Created by admin on Wed Apr 02 18:39:49 GMT 2025 , Edited by admin on Wed Apr 02 18:39:49 GMT 2025
PRIMARY
CAS
3153-37-5
Created by admin on Wed Apr 02 18:39:49 GMT 2025 , Edited by admin on Wed Apr 02 18:39:49 GMT 2025
PRIMARY
NSC
66271
Created by admin on Wed Apr 02 18:39:49 GMT 2025 , Edited by admin on Wed Apr 02 18:39:49 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-592-9
Created by admin on Wed Apr 02 18:39:49 GMT 2025 , Edited by admin on Wed Apr 02 18:39:49 GMT 2025
PRIMARY
PUBCHEM
76612
Created by admin on Wed Apr 02 18:39:49 GMT 2025 , Edited by admin on Wed Apr 02 18:39:49 GMT 2025
PRIMARY
FDA UNII
RKL29JT5L9
Created by admin on Wed Apr 02 18:39:49 GMT 2025 , Edited by admin on Wed Apr 02 18:39:49 GMT 2025
PRIMARY