2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one

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CAS
97507-52-3
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Purity
96%
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Catalog Number

ACM97507523

Product Name

2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one

Structure

Structure

CAS

97507-52-3

Category

Heterocyclic Organic Compound

Synonyms

97507-52-3, 2-Phenyl-2,5,6,7-tetrahydro-benzotriazol-4-one, 2-phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one, ZINC00183980, AC1LEYEX, CBMicro_026801, Ambcb5626281, SureCN4451514, MLS000549456, CTK5H9368, MolPort-001-895-749, HMS2376A03, AKOS000675866, AG-H-97419, MCULE-6895486171, AK-97302, BAS 00318792, SMR000114368, BIM-0026557.P001, 2-phenyl-6,7-dihydro-5H-benzotriazol-4-one

IUPAC Name

2-phenyl-6,7-dihydro-5H-benzotriazol-4-one

Molecular Weight

213.235240 [g/mol]

Molecular Formula

C12H11N3O

Canonical SMILES

C1CC2=NN(N=C2C(=O)C1)C3=CC=CC=C3

InChI Key

VQHCVLOZJJUGAQ-UHFFFAOYSA-N

Boiling Point

419.7ºC at 760 mmHg

Flash Point

207.6ºC

Density

1.35g/cm³

Exact Mass

213.09000

H-Bond Acceptor

3

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one?

The molecular formula is C12H11N3O.

What is the molecular weight of 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one?

The molecular weight is 213.23 g/mol.

When was 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one created?

It was created on July 8, 2005.

When was 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one last modified?

It was last modified on December 30, 2023.

What is the IUPAC name of 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one?

The IUPAC name is 2-phenyl-6,7-dihydro-5H-benzotriazol-4-one.

What is the InChI of 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one?

The InChI is InChI=1S/C12H11N3O/c16-11-8-4-7-10-12(11)14-15(13-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.

What is the InChIKey of 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one?

The InChIKey is VQHCVLOZJJUGAQ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one?

The canonical SMILES is C1CC2=NN(N=C2C(=O)C1).

What is the CAS number of 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one?

The CAS number is 97507-52-3.

What is the ChEMBL ID of 2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one?

The ChEMBL ID is CHEMBL1498372.

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