1,2,4-TRICHLORODIBENZO-P-DIOXIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H5Cl3O2
Molecular Weight	287.526
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,2,4-TRICHLORODIBENZO-P-DIOXIN

Structure Search

SMILES

ClC1=CC(Cl)=C(Cl)C2=C1OC3=C(O2)C=CC=C3

InChI

InChIKey=HRVUKLBFRPWXPJ-UHFFFAOYSA-N

InChI=1S/C12H5Cl3O2/c13-6-5-7(14)11-12(10(6)15)17-9-4-2-1-3-8(9)16-11/h1-5H

HIDE SMILES / InChI

Molecular Formula	C12H5Cl3O2
Molecular Weight	287.526
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Specific interactions between aryl hydrocarbon receptor and dioxin congeners: ab initio fragment molecular orbital calculations.	2010 Sep	20655778

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:14:18 GMT 2023` Edited by `admin` on `Fri Dec 15 19:14:18 GMT 2023`
Record UNII	N788AO107G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2,4-TRICHLORODIBENZO-P-DIOXIN

Common Name

English

PCDD 14

Common Name

English

1,2,4-TRICHLORODIBENZODIOXIN

Systematic Name

English

DIBENZO(B,E)(1,4)DIOXIN, 1,2,4-TRICHLORO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

38253

Created by admin on Fri Dec 15 19:14:18 GMT 2023 , Edited by admin on Fri Dec 15 19:14:18 GMT 2023

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EPA CompTox

DTXSID50192489

Created by admin on Fri Dec 15 19:14:18 GMT 2023 , Edited by admin on Fri Dec 15 19:14:18 GMT 2023

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FDA UNII

N788AO107G

Created by admin on Fri Dec 15 19:14:18 GMT 2023 , Edited by admin on Fri Dec 15 19:14:18 GMT 2023

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CAS

39227-58-2

Created by admin on Fri Dec 15 19:14:18 GMT 2023 , Edited by admin on Fri Dec 15 19:14:18 GMT 2023

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