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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17BrINO2
Molecular Weight 450.109
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BROMO-4-CYANO-6-IODOPHENYL OCTANOATE

SMILES

CCCCCCCC(=O)OC1=C(I)C=C(C=C1Br)C#N

InChI

InChIKey=SAZMMKVERXRCHL-UHFFFAOYSA-N
InChI=1S/C15H17BrINO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H17BrINO2
Molecular Weight 450.109
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 Tue Apr 01 19:18:01 GMT 2025
Edited
by admin
on Tue Apr 01 19:18:01 GMT 2025
Record UNII
GT7W7UC9ZX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BROMO-4-CYANO-6-IODOPHENYL OCTANOATE
Systematic Name English
(2-BROMO-4-CYANO-6-IODOPHENYL) OCTANOATE
Preferred Name English
OCTANOIC ACID, 2-BROMO-4-CYANO-6-IODOPHENYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70239608
Created by admin on Tue Apr 01 19:18:01 GMT 2025 , Edited by admin on Tue Apr 01 19:18:01 GMT 2025
PRIMARY
ECHA (EC/EINECS)
298-045-6
Created by admin on Tue Apr 01 19:18:01 GMT 2025 , Edited by admin on Tue Apr 01 19:18:01 GMT 2025
PRIMARY
PUBCHEM
16205767
Created by admin on Tue Apr 01 19:18:01 GMT 2025 , Edited by admin on Tue Apr 01 19:18:01 GMT 2025
PRIMARY
CAS
93777-16-3
Created by admin on Tue Apr 01 19:18:01 GMT 2025 , Edited by admin on Tue Apr 01 19:18:01 GMT 2025
PRIMARY
FDA UNII
GT7W7UC9ZX
Created by admin on Tue Apr 01 19:18:01 GMT 2025 , Edited by admin on Tue Apr 01 19:18:01 GMT 2025
PRIMARY