1-(2-Fluorobenzyl)-3-cyanoindazole

HCID 11391069

Notes Reactions

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Basic information

CAS: 256376-72-4
Standard SMILES: N#Cc1nn(Cc2ccccc2F)c2ccccc12
InChIKey: AGYZSSWNSPUHRM-UHFFFAOYSA-N
Molecular formula: C15H10FN3
Average molar mass: 251.26 g/mol
Monoisotopic mass: 251.08587554

Names & identifiers

Preferred name: 1-(2-Fluorobenzyl)-3-cyanoindazole
IUPAC: 1-[(2-fluorophenyl)methyl]indazole-3-carbonitrile

Names & synonyms

256376-72-41-(2-Fluorobenzyl)-3-cyanoindazoleSCHEMBL4245514AGYZSSWNSPUHRM-UHFFFAOYSA-NDTXSID701215621DB-0925891-[(2-Fluorophenyl)methyl]-1H-indazole-3-carbonitrile

Database identifiers

CAS: 256376-72-4
PubChem CID: 11391069
DTXSID: DTXSID701215621

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 364

Related reactions

4 records

New reaction record

HRID 32314As productuspto-grants-2008_09

HRID 1535282As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2156656As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2307852As reactantuspto-grants-2004_12

Compound notes

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