1-(Azidomethyl)-4-fluoro-2-iodobenzene

HCID 21069776

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: [N-]=[N+]=NCc1ccc(F)cc1I
InChIKey: WAQBMDAUVNOKTB-UHFFFAOYSA-N
Molecular formula: C7H5FIN3
Average molar mass: 277.04 g/mol

Names & identifiers

Preferred name: 1-(Azidomethyl)-4-fluoro-2-iodobenzene
IUPAC: 1-(azidomethyl)-4-fluoro-2-iodobenzene

Names & synonyms

SCHEMBL13447845WAQBMDAUVNOKTB-UHFFFAOYSA-N1-(Azidomethyl)-4-fluoro-2-iodobenzene

Database identifiers

PubChem CID: 21069776

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 14.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 193

Related reactions

11 records

New reaction record

HRID 701704As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1372327As productuspto-grants-2007_01

HRID 1372328As reactantuspto-grants-2007_01

HRID 1538513As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1664184As productuspto-grants-2011_10

HRID 1664185As reactantuspto-grants-2011_10

HRID 1726655As productuspto-grants-2009_02

HRID 1726656As reactantuspto-grants-2009_02

Compound notes

Loading…