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Details

Stereochemistry MIXED
Molecular Formula C6H9Cl3O
Molecular Weight 203.494
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,4-TRICHLORO-2-METHYL-3-PENTANONE

SMILES

CC(Cl)C(=O)C(C)(Cl)CCl

InChI

InChIKey=KAUWEMQJFDRELR-UHFFFAOYSA-N
InChI=1S/C6H9Cl3O/c1-4(8)5(10)6(2,9)3-7/h4H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H9Cl3O
Molecular Weight 203.494
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:23:24 GMT 2025
Edited
by admin
on Tue Apr 01 18:23:24 GMT 2025
Record UNII
780WTB733S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PENTANONE, 1,2,4-TRICHLORO-2-METHYL-
Preferred Name English
1,2,4-TRICHLORO-2-METHYL-3-PENTANONE
Systematic Name English
Code System Code Type Description
CAS
145556-04-3
Created by admin on Tue Apr 01 18:23:24 GMT 2025 , Edited by admin on Tue Apr 01 18:23:24 GMT 2025
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EPA CompTox
DTXSID2029587
Created by admin on Tue Apr 01 18:23:24 GMT 2025 , Edited by admin on Tue Apr 01 18:23:24 GMT 2025
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PUBCHEM
86254
Created by admin on Tue Apr 01 18:23:24 GMT 2025 , Edited by admin on Tue Apr 01 18:23:24 GMT 2025
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FDA UNII
780WTB733S
Created by admin on Tue Apr 01 18:23:24 GMT 2025 , Edited by admin on Tue Apr 01 18:23:24 GMT 2025
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