CAS
97503-12-3 Purity
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97503-12-3 Purity
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2-Phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one
CAS
97507-52-3
Catalog Number
ACM97507523
Category
Other Products
Molecular Weight
213.235240 [g/mol]
Molecular Formula
C12H11N3O
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Specification
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
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
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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