1-(4-Bromo-2-iodobenzyl)cyclopropanecarbonitrile

HCID 67979304

Notes Reactions

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Basic information

Standard SMILES: N#CC1(Cc2ccc(Br)cc2I)CC1
InChIKey: ZUVWLCWIPCFIQG-UHFFFAOYSA-N
Molecular formula: C11H9BrIN
Average molar mass: 362 g/mol

Names & identifiers

Preferred name: 1-(4-Bromo-2-iodobenzyl)cyclopropanecarbonitrile
IUPAC: 1-[(4-bromo-2-iodophenyl)methyl]cyclopropane-1-carbonitrile

Names & synonyms

1383985-24-71-(4-BROMO-2-IODOBENZYL)CYCLOPROPANE-1-CARBONITRILE1-(4-Bromo-2-iodobenzyl)cyclopropanecarbonitrileSCHEMBL9947839ZUVWLCWIPCFIQG-UHFFFAOYSA-NDB-085263

Database identifiers

PubChem CID: 67979304

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 266

Related reactions

7 records

New reaction record

HRID 539295As productuspto-grants-2014_10

HRID 539296As reactantuspto-grants-2014_10

HRID 1207690As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1770905As productuspto-grants-2016_02

HRID 1770906As reactantuspto-grants-2016_02

HRID 1965059As productuspto-grants-2013_04

HRID 1965060As reactantuspto-grants-2013_04

Compound notes

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