7-(Bromomethyl)-2-[4-(trifluoromethyl)phenyl]indazole

HCID 57718475

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: FC(F)(F)c1ccc(-n2cc3cccc(CBr)c3n2)cc1
InChIKey: COBMTJDWYHMRIY-UHFFFAOYSA-N
Molecular formula: C15H10BrF3N2
Average molar mass: 355.15 g/mol
Monoisotopic mass: 353.99795

Names & identifiers

Preferred name: 7-(Bromomethyl)-2-[4-(trifluoromethyl)phenyl]indazole
IUPAC: 7-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]indazole

Names & synonyms

SCHEMBL3968483COBMTJDWYHMRIY-UHFFFAOYSA-N7-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]indazole

Database identifiers

PubChem CID: 57718475

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 355

Related reactions

4 records

New reaction record

HRID 692533 reaction equation

HRID 692533As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1567817 reaction equation

HRID 1567817As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2161140 reaction equation

HRID 2161140As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2313726 reaction equation

HRID 2313726As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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