1-Chlorobenzotriazole

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H4ClN3
Molecular Weight	153.569
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Chlorobenzotriazole

Structure Search

SMILES

ClN1N=NC2=C1C=CC=C2

InChI

InChIKey=INOGLHRUEYDAHX-UHFFFAOYSA-N

InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H

HIDE SMILES / InChI

Molecular Formula	C6H4ClN3
Molecular Weight	153.569
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 19:16:09 GMT 2025` Edited by `admin` on `Tue Apr 01 19:16:09 GMT 2025`
Record UNII	ZBS9UG92KG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-186037

Preferred Name

English

1-Chlorobenzotriazole

Systematic Name

English

1H-Benzotriazole, 1-chloro-

Systematic Name

English

1-Chloro-1H-benzotriazole

Systematic Name

English

1-Chloro-benzotriazole

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50175272

Created by admin on Tue Apr 01 19:16:09 GMT 2025 , Edited by admin on Tue Apr 01 19:16:09 GMT 2025

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PUBCHEM

88761

Created by admin on Tue Apr 01 19:16:09 GMT 2025 , Edited by admin on Tue Apr 01 19:16:09 GMT 2025

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ECHA (EC/EINECS)

244-171-1

Created by admin on Tue Apr 01 19:16:09 GMT 2025 , Edited by admin on Tue Apr 01 19:16:09 GMT 2025

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FDA UNII

ZBS9UG92KG

Created by admin on Tue Apr 01 19:16:09 GMT 2025 , Edited by admin on Tue Apr 01 19:16:09 GMT 2025

PRIMARY

NSC

186037

Created by admin on Tue Apr 01 19:16:09 GMT 2025 , Edited by admin on Tue Apr 01 19:16:09 GMT 2025

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CAS

21050-95-3

Created by admin on Tue Apr 01 19:16:09 GMT 2025 , Edited by admin on Tue Apr 01 19:16:09 GMT 2025

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