4-(3-CHLORO-2,4,6-TRINITROPHENOXY)PHENOL

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H6ClN3O8
Molecular Weight	355.644
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(3-CHLORO-2,4,6-TRINITROPHENOXY)PHENOL

Structure Search

SMILES

OC1=CC=C(OC2=C(C=C(C(Cl)=C2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C=C1

InChI

InChIKey=CXUNQKQBOXFIIE-UHFFFAOYSA-N

InChI=1S/C12H6ClN3O8/c13-10-8(14(18)19)5-9(15(20)21)12(11(10)16(22)23)24-7-3-1-6(17)2-4-7/h1-5,17H

HIDE SMILES / InChI

Molecular Formula	C12H6ClN3O8
Molecular Weight	355.644
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 18:48:44 GMT 2025` Edited by `admin` on `Tue Apr 01 18:48:44 GMT 2025`
Record UNII	5SM77D9WWB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(3-CHLORO-2,4,6-TRINITROPHENOXY)PHENOL

Systematic Name

English

PHENOL, 4-(3-CHLORO-2,4,6-TRINITROPHENOXY)-

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

303-549-7

Created by admin on Tue Apr 01 18:48:44 GMT 2025 , Edited by admin on Tue Apr 01 18:48:44 GMT 2025

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EPA CompTox

DTXSID50240994

Created by admin on Tue Apr 01 18:48:44 GMT 2025 , Edited by admin on Tue Apr 01 18:48:44 GMT 2025

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PUBCHEM

3023960

Created by admin on Tue Apr 01 18:48:44 GMT 2025 , Edited by admin on Tue Apr 01 18:48:44 GMT 2025

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FDA UNII

5SM77D9WWB

Created by admin on Tue Apr 01 18:48:44 GMT 2025 , Edited by admin on Tue Apr 01 18:48:44 GMT 2025

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CAS

94200-70-1

Created by admin on Tue Apr 01 18:48:44 GMT 2025 , Edited by admin on Tue Apr 01 18:48:44 GMT 2025

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