1-Isopropyl-1H-benzo[D][1,2,3]triazole-6-carbaldehyde

HCID 11615316

Notes Reactions

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Basic information

CAS: 467235-07-0
Standard SMILES: CC(C)n1nnc2ccc(C=O)cc21
InChIKey: LYCLRAZQIZWTOL-UHFFFAOYSA-N
Molecular formula: C10H11N3O
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.09021198

Names & identifiers

Preferred name: 1-Isopropyl-1H-benzo[D][1,2,3]triazole-6-carbaldehyde
IUPAC: 3-propan-2-ylbenzotriazole-5-carbaldehyde

Names & synonyms

1-ISOPROPYL-1H-BENZO[D][1,2,3]TRIAZOLE-6-CARBALDEHYDESCHEMBL6187604LYCLRAZQIZWTOL-UHFFFAOYSA-NAKOS006330698AB505433-isopropyl-3H-benzotriazole-5-carbaldehyde

Database identifiers

CAS: 467235-07-0
PubChem CID: 11615316

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 47.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 219

Related reactions

2 records

New reaction record

HRID 433017As productuspto-grants-2003_12

HRID 2132550As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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