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Details

Stereochemistry ACHIRAL
Molecular Formula C4H3BrO2
Molecular Weight 162.969
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-bromopropiolate

SMILES

COC(=O)C#CBr

InChI

InChIKey=PITMUHRRCBFULF-UHFFFAOYSA-N
InChI=1S/C4H3BrO2/c1-7-4(6)2-3-5/h1H3

HIDE SMILES / InChI

Molecular Formula C4H3BrO2
Molecular Weight 162.969
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 12:21:53 GMT 2025
Edited
by admin
on Wed Apr 02 12:21:53 GMT 2025
Record UNII
27PUT7B7S2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-163453
Preferred Name English
Methyl 3-bromopropiolate
Systematic Name English
2-Propynoic acid, 3-bromo-, methyl ester
Systematic Name English
Methyl 3-bromo-2-propynoate
Systematic Name English
Methyl 3-bromopropynoate
Systematic Name English
Methyl 3-bromopropargylate
Systematic Name English
Propiolic acid, bromo-, methyl ester
Systematic Name English
Methyl bromopropiolate
Systematic Name English
Code System Code Type Description
NSC
163453
Created by admin on Wed Apr 02 12:21:53 GMT 2025 , Edited by admin on Wed Apr 02 12:21:53 GMT 2025
PRIMARY
PUBCHEM
294619
Created by admin on Wed Apr 02 12:21:53 GMT 2025 , Edited by admin on Wed Apr 02 12:21:53 GMT 2025
PRIMARY
CAS
23680-40-2
Created by admin on Wed Apr 02 12:21:53 GMT 2025 , Edited by admin on Wed Apr 02 12:21:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID90303911
Created by admin on Wed Apr 02 12:21:53 GMT 2025 , Edited by admin on Wed Apr 02 12:21:53 GMT 2025
PRIMARY
FDA UNII
27PUT7B7S2
Created by admin on Wed Apr 02 12:21:53 GMT 2025 , Edited by admin on Wed Apr 02 12:21:53 GMT 2025
PRIMARY