3-CHLOROMETHYL-1,2,3-BENZOTRIAZ-4-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6ClN3O
Molecular Weight	195.606
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CHLOROMETHYL-1,2,3-BENZOTRIAZ-4-ONE

Structure Search

SMILES

ClCN1N=NC2=C(C=CC=C2)C1=O

InChI

InChIKey=DIBUQPIFKGWZDT-UHFFFAOYSA-N

InChI=1S/C8H6ClN3O/c9-5-12-8(13)6-3-1-2-4-7(6)10-11-12/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula	C8H6ClN3O
Molecular Weight	195.606
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 `Fri Dec 15 17:52:02 GMT 2023` Edited by `admin` on `Fri Dec 15 17:52:02 GMT 2023`
Record UNII	7YY9H76V34
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-CHLOROMETHYL-1,2,3-BENZOTRIAZ-4-ONE

Common Name

English

1,2,3-BENZOTRIAZIN-4(3H)-ONE, 3-(CHLOROMETHYL)-

Systematic Name

English

3-(CHLOROMETHYL)-1,2,3-BENZOTRIAZIN-4(3H)-ONE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

600044

Created by admin on Fri Dec 15 17:52:02 GMT 2023 , Edited by admin on Fri Dec 15 17:52:02 GMT 2023

Code System Code Type Description

FDA UNII

7YY9H76V34

Created by admin on Fri Dec 15 17:52:02 GMT 2023 , Edited by admin on Fri Dec 15 17:52:02 GMT 2023

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ECHA (EC/EINECS)

246-152-3

Created by admin on Fri Dec 15 17:52:02 GMT 2023 , Edited by admin on Fri Dec 15 17:52:02 GMT 2023

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CAS

24310-41-6

Created by admin on Fri Dec 15 17:52:02 GMT 2023 , Edited by admin on Fri Dec 15 17:52:02 GMT 2023

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PUBCHEM

90462

Created by admin on Fri Dec 15 17:52:02 GMT 2023 , Edited by admin on Fri Dec 15 17:52:02 GMT 2023

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EPA CompTox

DTXSID2027830

Created by admin on Fri Dec 15 17:52:02 GMT 2023 , Edited by admin on Fri Dec 15 17:52:02 GMT 2023

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