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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9BrO
Molecular Weight 213.071
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-Bromo-4-methylphenyl)ethanone

SMILES

CC(=O)C1=CC(Br)=C(C)C=C1

InChI

InChIKey=PDJLFESXPVLVMR-UHFFFAOYSA-N
InChI=1S/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-(3-Bromo-4-methylphenyl)ethan-1-one
Preferred Name English
1-(3-Bromo-4-methylphenyl)ethanone
Systematic Name English
3-Bromo-4-methylacetophenone
Systematic Name English
3?-Bromo-4?-methylacetophenone
Systematic Name English
Ethanone, 1-(3-bromo-4-methylphenyl)-
Systematic Name English
Code System Code Type Description
CAS
40180-80-1
Created by admin on Wed Apr 02 19:09:37 GMT 2025 , Edited by admin on Wed Apr 02 19:09:37 GMT 2025
PRIMARY
FDA UNII
97JD6VY3GU
Created by admin on Wed Apr 02 19:09:37 GMT 2025 , Edited by admin on Wed Apr 02 19:09:37 GMT 2025
PRIMARY
PUBCHEM
3309401
Created by admin on Wed Apr 02 19:09:37 GMT 2025 , Edited by admin on Wed Apr 02 19:09:37 GMT 2025
PRIMARY
NIH
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