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Details

Stereochemistry ACHIRAL
Molecular Formula C13H4Cl6O2
Molecular Weight 404.888
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-chloro-benzoic acid pentachlorophenyl ester

SMILES

ClC1=CC=C(C=C1)C(=O)OC2=C(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl

InChI

InChIKey=SMGVQZFGGUDSBZ-UHFFFAOYSA-N
InChI=1S/C13H4Cl6O2/c14-6-3-1-5(2-4-6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H

HIDE SMILES / InChI

Molecular Formula C13H4Cl6O2
Molecular Weight 404.888
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 19:44:04 GMT 2025
Edited
by admin
on Tue Apr 01 19:44:04 GMT 2025
Record UNII
M7BC29CJM8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-404989
Preferred Name English
4-chloro-benzoic acid pentachlorophenyl ester
Common Name English
Benzoic acid, p-chloro-, pentachlorophenyl ester
Common Name English
PHENOL, PENTACHLORO-, P-CHLOROBENZOATE
Common Name English
Benzoic acid, 4-chloro-, pentachlorophenyl ester
Common Name English
2,3,4,5,6-Pentachlorophenyl 4-chlorobenzoate
Systematic Name English
Code System Code Type Description
FDA UNII
M7BC29CJM8
Created by admin on Tue Apr 01 19:44:04 GMT 2025 , Edited by admin on Tue Apr 01 19:44:04 GMT 2025
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EPA CompTox
DTXSID30183678
Created by admin on Tue Apr 01 19:44:04 GMT 2025 , Edited by admin on Tue Apr 01 19:44:04 GMT 2025
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CAS
2948-12-1
Created by admin on Tue Apr 01 19:44:04 GMT 2025 , Edited by admin on Tue Apr 01 19:44:04 GMT 2025
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PUBCHEM
101281
Created by admin on Tue Apr 01 19:44:04 GMT 2025 , Edited by admin on Tue Apr 01 19:44:04 GMT 2025
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NSC
404989
Created by admin on Tue Apr 01 19:44:04 GMT 2025 , Edited by admin on Tue Apr 01 19:44:04 GMT 2025
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