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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11BrO
Molecular Weight 227.098
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Bromo-1-(4-methylphenyl)-1-propanone, (2S)-

SMILES

C[C@H](Br)C(=O)C1=CC=C(C)C=C1

InChI

InChIKey=OZLUPIIIHOOPNQ-QMMMGPOBSA-N
InChI=1S/C10H11BrO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8H,1-2H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H11BrO
Molecular Weight 227.098
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:20:44 GMT 2025
Edited
by admin
on Wed Apr 02 17:20:44 GMT 2025
Record UNII
J3HW399YUC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-2-Bromo-1-(4-methylphenyl)-1-propanone
Preferred Name English
2-Bromo-1-(4-methylphenyl)-1-propanone, (2S)-
Systematic Name English
2-bromo-1-(4-methylphenyl)propan-1-one, (2S)-
Systematic Name English
1-Propanone, 2-bromo-1-(4-methylphenyl)-, (2S)-
Systematic Name English
Code System Code Type Description
FDA UNII
J3HW399YUC
Created by admin on Wed Apr 02 17:20:44 GMT 2025 , Edited by admin on Wed Apr 02 17:20:44 GMT 2025
PRIMARY
CAS
2838968-06-0
Created by admin on Wed Apr 02 17:20:44 GMT 2025 , Edited by admin on Wed Apr 02 17:20:44 GMT 2025
PRIMARY
PUBCHEM
7167791
Created by admin on Wed Apr 02 17:20:44 GMT 2025 , Edited by admin on Wed Apr 02 17:20:44 GMT 2025
PRIMARY
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